SCHEMBL1735363

SCHEMBL1735363

COc1ccc(-c2cnc(Nc3ccc(CCNC4CCCCC4)cc3)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ KDR P35968 1/20 0.44
▸ CTSL P07711 2/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSK P43235 2/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CCNB2 O95067 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41

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
SCHEMBL13605452 0.97 KDM4E (0.46) KDM4EPOLBKMT2ACDK1KDR
Bicarbonate SCHEMBL1736482 0.95 CTSL (0.46) KDM4EPOLBCDK1KDRCTSL
SCHEMBL13605483 0.86 HDAC3 (0.43) POLBKMT2ACDK1KDRCTSL
SCHEMBL1735216 0.86 HDAC3 (0.43) POLBKMT2ACDK1KDRCTSL
SCHEMBL13605476 0.86 SYK (0.45) POLBKMT2ACDK1KDRCTSL
SCHEMBL13605294 0.85 KDM4E (0.63) KDM4ECTSLCTSSCTSKCHEK1
SCHEMBL13605459 0.83 HDAC3 (0.41) KDM4ECDK1KDRCTSLCTSS
SCHEMBL5561766 0.81 KDM4E (0.65) KDM4EPOLBKMT2ACYP2D6CYP2C19
SCHEMBL787034 0.80 KDM4E (0.67) KDM4EPOLBKMT2ACYP2D6CYP2C19
SCHEMBL13605447 0.78 ALDH1A1 (0.47) KDM4EKMT2ACDK1KDRCYP1A2

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
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 — — EP claimed
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