SCHEMBL8945361

SCHEMBL8945361

NC(=O)c1ccnc(C(=O)NCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
KMT2A Q03164 5/20 0.44
S1PR1 P21453 1/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
KDM5C P41229 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
KDM4B O94953 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM6B O15054 1/20 0.42
TET3 O43151 1/20 0.42
KDM4A O75164 1/20 0.42
BBOX1 O75936 1/20 0.42
KDM5A P29375 1/20 0.42
ASPH Q12797 1/20 0.42

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
SCHEMBL8945334 0.89 POLB (0.54) ITGB3ITGA2BKMT2AS1PR1KDM4E
SCHEMBL8842629 0.85 LOXL2 (0.50) KMT2AKDM4EHPGDLOXL2ALDH1A1
SCHEMBL19439177 0.84 PARP1 (0.43) ITGB3ITGA2BKDM4EHTTLOXL2
SCHEMBL29831137 0.79 BRD4 (0.50) KDM4EHPGDKDM5CKDM5BKDM4B
SCHEMBL19439121 0.79 BRD4 (0.50) KDM4EHPGDKDM5CKDM5BKDM4B
SCHEMBL28255647 0.78 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL9561544 0.78 POLB (0.51) ITGB3ITGA2BKMT2AKDM4EPOLB
SCHEMBL28292621 0.78 BRAF (0.46) KMT2AS1PR1KDM4ELOXL2ALDH1A1
SCHEMBL6613121 0.78 MAP2K1 (0.44) KMT2AS1PR1POLBHPGDHTT
SCHEMBL13852609 0.78 KMT2A (0.52) KMT2AS1PR1POLBSMN1; SMN2MEN1

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-109641854-A Integration stress access regulator 卡里科生命科学有限责任公司 2019-04-16 CN disclosed
US-5519038-A ENZYME INHIBITORS SUITABLE AS FIBROSUPPRESSANTS AND IMMUNOSUPPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-21 US disclosed