SCHEMBL7945686

SCHEMBL7945686

NSc1cccc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
HSD17B10 Q99714 1/20 0.70
APEX1 P27695 1/20 0.59
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
KMO O15229 1/20 0.48
UNG P13051 1/20 0.47
FOLH1 Q04609 2/20 0.46
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
AKR1C3 P42330 1/20 0.46
ANPEP P15144 1/20 0.44
ENPEP Q07075 1/20 0.44
DDB1 Q16531 1/20 0.44

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
SCHEMBL69064 0.83 CYP1A2 (1.00) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL29380400 0.83 CYP1A2 (1.00) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL2406839 0.83 CYP1A2 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL31383422 0.83 CYP1A2 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL8712530 0.81 HSD17B10 (0.73) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL8712966 0.79 HSD17B10 (0.70) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL16302528 0.79 CYP1A2 (0.70) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL2801844 0.79 CYP1A2 (0.84) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL659462 0.79 HSD17B10 (0.70) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL6778027 0.79 HPGD (0.70) CYP1A2CYP2C9HPGDHSD17B10APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008322-B sulfonamide derivatives as BC L-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2018-09-04 CN disclosed
CN-107428696-A Sulfonylureas and related compounds and uses thereof 昆士兰大学 2017-12-01 CN disclosed
CN-106008322-A BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-10-12 CN disclosed
CN-102307872-B BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-06-15 CN disclosed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US disclosed
US-5847061-A Process for producing polymers having terminal functional group which may be protected KURARAY CO., LTD. (JP) 1998-12-08 US disclosed
EP-0704460-B1 PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP KURARAY CO (JP) 1998-11-04 EP disclosed
EP-0704460-A1 PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP KURARAY CO., LTD. (JP) 1996-04-03 EP disclosed