SCHEMBL15775207

SCHEMBL15775207

Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 1.00
TNKS2 Q9H2K2 12/20 1.00
PARP1 P09874 6/20 1.00
GUSB P08236 7/20 0.72
PARP2 Q9UGN5 3/20 0.72
CYP1A1 P04798 1/20 0.72
CYP1B1 Q16678 1/20 0.72
MAPT P10636 3/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 2/20 0.69
ALOX15 P16050 1/20 0.69
APOBEC3G Q9HC16 1/20 0.69
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
KDM4E B2RXH2 2/20 0.67
WNT3A P56704 1/20 0.67
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67

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 0.92 TNKS (0.93) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL6124189 0.88 TNKS (0.93) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL29592833 0.88 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL258433 0.88 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
Hydrochloric Acid SCHEMBL31529601 0.86 TNKS (0.96) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL2006170 0.84 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL8618982 0.84 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL15775876 0.84 TNKS (0.78) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL7765127 0.84 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL29900584 0.84 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107200866-B A kind of resistance to yellow agent of soft polyurethane foam 汕头市八隅新材料有限公司 2019-08-16 CN disclosed
CN-107200866-A A kind of resistance to yellow agent of soft polyurethane foam 汕头市八隅新材料有限公司 2017-09-26 CN disclosed
CN-103710779-B Method for improving alkali resistance of polyimide fiber 江苏先诺新材料科技有限公司 2017-04-12 CN disclosed
CN-104447581-A Method for synthesizing N-heterocyclic compound UNIV HUNAN 2015-03-25 CN disclosed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed