SCHEMBL28830672

SCHEMBL28830672

O=c1[nH]c(-c2ccsc2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.69
TNKS2 Q9H2K2 11/20 0.69
PARP1 P09874 5/20 0.69
HPGD P15428 3/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 1/20 0.66
ALOX15 P16050 1/20 0.66
HSD17B10 Q99714 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
GUSB P08236 6/20 0.60
PARP2 Q9UGN5 3/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1B1 Q16678 1/20 0.60
KDM4E B2RXH2 2/20 0.58
PKM P14618 1/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
WNT3A P56704 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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 0.82 TNKS (0.93) TNKSTNKS2PARP1HPGDMAPT
SCHEMBL29592833 0.82 TNKS (1.00) TNKSTNKS2PARP1HPGDMAPT
SCHEMBL258433 0.82 TNKS (1.00) TNKSTNKS2PARP1HPGDMAPT
Hydrochloric Acid SCHEMBL31529601 0.80 TNKS (0.96) TNKSTNKS2PARP1HPGDMAPT
SCHEMBL6695759 0.80 TNKS2 (0.81) TNKSTNKS2PARP1HPGDMAPT
SCHEMBL3460177 0.80 HPGD (1.00) TNKSTNKS2PARP1HPGDMAPT
SCHEMBL29831923 0.80 HPGD (1.00) TNKSTNKS2PARP1HPGDMAPT
SCHEMBL6124189 0.79 TNKS (0.93) TNKSTNKS2PARP1HPGDMAPT
SCHEMBL9030999 0.78 NPC1 (0.62) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL8620410 0.78 TNKS (0.83) TNKSTNKS2PARP1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010671-B One-step synthesis method of 2-substituted quinazolinone 江苏大学 2023-10-10 CN disclosed
CN-115010671-A One-step synthesis method of 2-substituted quinazolinone 江苏大学 2022-09-06 CN disclosed