SCHEMBL8790409

SCHEMBL8790409

Cc1cc(CCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FFAR4 Q5NUL3 3/20 0.49
MAPT P10636 3/20 0.48
FFAR1 O14842 6/20 0.48
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL27575457 0.91 TSHR (0.53) TSHRNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL14777639 0.84 TSHR (0.58) TSHRNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1829346 0.84 TSHR (0.58) TSHRNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL27972753 0.82 CYP4F2 (0.54) TSHRNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5716652 0.82 TSHR (0.53) TSHRNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL27593711 0.82 TSHR (0.49) TSHRNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10982297 0.81 ATM (0.50) RAB9AFFAR4MAPTFFAR1GSTP1
SCHEMBL510443 0.81 GSTP1 (0.46) RAB9AFFAR4MAPTFFAR1GSTP1
SCHEMBL9384240 0.81 MAPT (0.50) NPC1RAB9ASMN1; SMN2FFAR4MAPT
SCHEMBL6271900 0.81 TSHR (0.51) TSHRNPC1RAB9AL3MBTL1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1042421-C Acridine derivatives GLAXO LAB SA (FR) 1999-03-10 CN disclosed
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
CN-1081181-A Acridine derivatives GLAXO LAB SA (FR) 1994-01-26 CN disclosed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed