SCHEMBL9687990

SCHEMBL9687990

CCN(C)c1cccnc1N(C)CCCCN(C)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
CDK4 P11802 15/20 0.42
CCND1 P24385 15/20 0.42
CDK2 P24941 3/20 0.41
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
PBRM1 Q86U86 1/20 0.38

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
SCHEMBL9688963 0.94 CDK4 (0.43) HTR2CCDK4CCND1CDK2NPC1
SCHEMBL9242994 0.86 KMT2A (0.47) HTR2CCDK4CCND1NPC1SMN1; SMN2
SCHEMBL9688745 0.82 CDK4 (0.45) HTR2CCDK4CCND1CDK2
SCHEMBL9689717 0.82 CDK4 (0.40) CDK4CCND1SMN1; SMN2
SCHEMBL9037383 0.82 HTR2C (0.41) HTR2CCDK4CCND1CDK2
SCHEMBL9038031 0.81 HTR2C (0.41) HTR2CCDK4CCND1CDK2
SCHEMBL9690016 0.81 KMT2A (0.48) HTR2CCDK4CCND1NPC1SMN1; SMN2
SCHEMBL9036372 0.80 HTR2C (0.41) HTR2CCDK4CCND1CDK2
SCHEMBL9037086 0.78 CDK4 (0.42) HTR2CCDK4CCND1CDK2NPC1
SCHEMBL8985884 0.77 MAPT (0.48) HTR2CCDK4CCND1CDK2NPC1

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-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 EP claimed