SCHEMBL29723934

SCHEMBL29723934

Nc1nc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.64
TNKS2 Q9H2K2 11/20 0.64
PARP1 P09874 6/20 0.64
QTRT1 Q9BXR0 1/20 0.61
GUSB P08236 6/20 0.60
PARP2 Q9UGN5 2/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1B1 Q16678 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
WNT3A P56704 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL6885282 0.80 TNKS (0.93) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL15775207 0.79 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL8620410 0.78 TNKS (0.83) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL103994 0.78 QTRT1 (1.00) TNKSTNKS2PARP1QTRT1GUSB
SCHEMBL4505299 0.77 TNKS (0.71) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL29784025 0.77 TNKS (0.71) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL6124189 0.77 TNKS (0.93) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL11712219 0.77 ALDH1A1 (0.58) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL29592833 0.76 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL258433 0.76 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655505-B 6- (2-amino-1H-benzo [ d ] imidazol-6-yl) quinazolin-4 (3H) -ones 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2022-06-21 CN claimed