SCHEMBL8538647

SCHEMBL8538647

Cn1cc2c(Cl)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
PRMT5 O14744 1/20 0.41
POLB P06746 2/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
PSMB8 P28062 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
USP7 Q93009 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NSD2 O96028 1/20 0.35

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
SCHEMBL30899413 0.98 KDM4E (0.41) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL7946910 0.78 CYP2A6 (0.42) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL16775248 0.78 CREBBP (0.38) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL476881 0.77 NOTUM (0.45) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL544118 0.76 BACE1 (0.40) KDM4ECYP1A2POLBBRD4CREBBP
SCHEMBL913856 0.76 ALDH1A1 (0.43) KDM4ENPC1RAB9APOLBBRD4
SCHEMBL17547027 0.76 CREBBP (0.37) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL19539233 0.76 BRD4 (0.40) KDM4EBRD4CREBBPUSP7ALDH1A1
SCHEMBL24949781 0.76 ADORA2A (0.41) CYP1A2CYP2A6PRMT5PSMB8ADORA2A
SCHEMBL26156069 0.76 CYP1A2 (0.37) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125603-A1 SHP2 INHIBITOR AND USE THEREOF 江苏威凯尔医药科技有限公司 2024-06-20 WO disclosed
CN-118206550-A SHP2 inhibitor and application thereof 江苏威凯尔医药科技有限公司 2024-06-18 CN disclosed
CN-1048246-C Indazolesulfonylurea derivative, use thereof, and intermediate for production thereof KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-01-12 CN disclosed
EP-0657450-B1 INDAZOLESULFONYLUREA DERIVATIVE, USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KUMIAI CHEMICAL INDUSTRY CO (JP) 1998-09-09 EP disclosed
US-5763616-A HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-06-09 US disclosed
US-5670452-A PREEMERGENCE HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-09-23 US disclosed
US-5534481-A Indazolesulfonylurea derivative, its use and intermediate for its production KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-07-09 US disclosed
CN-1110478-A Indazolesulfonylurea derivative, use thereof, and intermediate for production thereof KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-10-18 CN disclosed
EP-0657450-A1 INDAZOLESULFONYLUREA DERIVATIVE, USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KumaiI Chemical Industry Co., Ltd. (JP) 1995-06-14 EP disclosed