SCHEMBL9195367

SCHEMBL9195367

O=C(O)C1Cc2ccccc2-c2nc3ccccc3cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
CYP2D6 P10635 2/20 0.54
HSD17B10 Q99714 2/20 0.54
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.41
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9270289 0.86 KMT2A (0.42) KDM4EALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL8006401 0.77 CYP3A4 (0.55) KDM4EALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL2083786 0.69 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL29559032 0.69 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL21177044 0.69 ATM (0.40) KDM4EALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL30702212 0.68 MAPT (0.56) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3948845 0.68 MAPT (0.56) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3141458 0.67 ALDH1A1 (0.41) KDM4EALDH1A1KMT2ACYP2C9MAPT
SCHEMBL5264214 0.66 MAPT (1.00) KDM4EALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL8209185 0.66 KDM4E (0.74) KDM4EALDH1A1KMT2ACYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380038-B1 3-phenyl-5,6-dihydrobenz (C) - acridine-7-carboxylic acids and related compounds as cancer chemotherapeutic agents DU PONT MERCK PHARMA (US) 1995-06-28 EP disclosed
EP-0538392-A1 3-PHENYL-5,6-DIHYDROBENZ C]ACRIDINE-7-CARBOXYLIC ACIDS AND RELATED COMPOUNDS AS IMMUNOSUPPRESIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-28 EP disclosed
US-5190753-A 3-phenyl-5,6-dihydrobenziciacridine-7-carboxylic acids and related compounds as immunosuppressive agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-02 US disclosed
US-5135934-A 3-PHENYL-5,6-DIHYDROBENZ(C) ACRIDINE-7-CARBOXYLIC ACIDS AND RELATED COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-08-04 US disclosed
WO-1992000739-A1 3-PHENYL-5,6-DIHYDROBENZ[C]ACRIDINE-7-CARBOXYLIC ACIDS AND RELATED COMPOUNDS AS IMMUNOSUPPRESIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-01-23 WO disclosed
EP-0380038-A3 3-PHENYL-5,6-DIHYDROBENZ (C) - ACRIDINE-7-CARBOXYLIC ACIDS AND RELATED COMPOUNDS AS CANCER CHEMOTHERAPEUTIC AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-11-13 EP disclosed
US-5002954-A Leukemia, melanoma DUPONT PHARMACEUTICALS COMPANY 1991-03-26 US disclosed
US-5002954-A Leukemia, melanoma DUPONT PHARMACEUTICALS COMPANY 1991-03-26 US disclosed
EP-0380038-A2 3-phenyl-5,6-dihydrobenz (C) - acridine-7-carboxylic acids and related compounds as cancer chemotherapeutic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-08-01 EP disclosed
EP-0380038-A2 3-phenyl-5,6-dihydrobenz (C) - acridine-7-carboxylic acids and related compounds as cancer chemotherapeutic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-08-01 EP disclosed
US-4918077-A ANTITUMOR AGENTS E. I. DU PONT DE NEMOURS & CO., INC. (US) 1990-04-17 US disclosed
US-4918077-A ANTITUMOR AGENTS E. I. DU PONT DE NEMOURS & CO., INC. (US) 1990-04-17 US disclosed