SCHEMBL3445668

SCHEMBL3445668

O=C(c1ccc(C(=O)c2cccc(Cl)c2)cc1)c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.63
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALOX15 P16050 2/20 0.53
PGR P06401 1/20 0.53
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PBRM1 Q86U86 1/20 0.50
SRD5A2 P31213 1/20 0.50
MAOB P27338 1/20 0.50
MAPK1 P28482 1/20 0.50
VNN1 O95497 1/20 0.50
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49

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
SCHEMBL3177794 0.96 PARP1 (0.59) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL3173817 0.95 PARP1 (0.68) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL1133114 0.93 ATM (0.71) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL31514279 0.93 ATM (0.71) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL3444927 0.93 PARP1 (0.65) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL8437706 0.92 SRD5A2 (0.64) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL7488057 0.92 MAPK1 (0.64) PARP1ATMTDP1L3MBTL1ALOX15
Ammonia Solution, Strong SCHEMBL28227232 0.91 ATM (0.68) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL2924646 0.90 ALDH1A1 (0.59) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL3025938 0.90 PARP1 (0.53) PARP1ATMTDP1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816053-B2 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. (JP) 2010-10-19 US disclosed
US-20060280991-A1 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. 2006-12-14 US disclosed
EP-0395883-B1 Mixtures of poly(arylene sulfides) with sulfonic end groups or their derivates with poly(arylene sulfides, and their use BAYER AG (DE) 1995-05-03 EP disclosed
US-5068312-A Molding materials formed by reacting dihalogen compounds with a sulfur donor in a solvent BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
EP-0395883-A2 Mixtures of poly(arylene sulfides) with sulfonic end groups or their derivates with poly(arylene sulfides, and their use BAYER AG (DE) 1990-11-07 EP disclosed
EP-0372252-A2 Process for preparing high molecular weight optionally branched polyarylene sulfides BAYER AG (DE) 1990-06-13 EP disclosed