SCHEMBL28588079

SCHEMBL28588079

CC(=O)Nc1ccc(C2CCC2c2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.56
▸ PGR P06401 1/20 0.55
▸ IDO1 P14902 1/20 0.55
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ EPHX1 P07099 1/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.45
▸ UBA2 Q9UBT2 1/20 0.45

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
SCHEMBL28584612 0.87 NAMPT (0.61) KDM1AKMT2AKDM4EMEN1RAB9A
SCHEMBL1344408 0.85 KDM1A (0.71) KDM1APGRIDO1KMT2AKDM4E
SCHEMBL28593005 0.81 HSD17B10 (0.60) KDM1AKMT2AKDM4EMEN1RAB9A
SCHEMBL28584635 0.81 TDP1 (0.69) IDO1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL13235766 0.80 SMN1; SMN2 (0.70) KDM1APGRIDO1KMT2AKDM4E
SCHEMBL28578450 0.80 ALDH1A1 (0.60) IDO1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL20941640 0.78 KDM1A (0.61) KDM1APGRIDO1KMT2AKDM4E
SCHEMBL28593819 0.77 EPHX1 (0.51) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28578005 0.77 NPC1 (0.54) IDO1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL12634622 0.76 MEN1 (0.76) KDM1APGRIDO1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623425-B Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2021-05-14 — — CN disclosed
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