SCHEMBL7566561

SCHEMBL7566561

CC(C)c1ccc(Nc2c(C(=O)O)cccc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NPC1 O15118 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MCL1 Q07820 1/20 0.45
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
EGFR P00533 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CXCR2 P25025 1/20 0.43
RECQL P46063 1/20 0.43
KIF11 P52732 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL4247174 0.82 FABP4 (0.65) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL1962523 0.81 MEN1 (0.57) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8285642 0.80 CXCR2 (0.60) MEN1KMT2ASMN1; SMN2MAPTCXCR2
SCHEMBL19586692 0.78 MEN1 (0.56) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2445505 0.77 CXCR2 (0.46) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7568727 0.77 AKR1C3 (0.54) MEN1KMT2AMAPTPOLBCXCR2
SCHEMBL7573476 0.77 CLCN2 (0.50) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28952582 0.75 ALDH1A1 (0.69) RAB9AMEN1KMT2ANPC1SMN1; SMN2
Benzene SCHEMBL28222709 0.75 NFKB1 (0.55) RAB9AMEN1KMT2ANPC1SMN1; SMN2
Isopropylbenzene SCHEMBL28108622 0.75 NOTUM (0.49) RAB9AMEN1KMT2ANPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed