SCHEMBL5597755

SCHEMBL5597755

NC(=O)N(Cc1ccccc1)c1cc(C2CCCC2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
CDC7 O00311 1/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR3 Q99500 2/20 0.39
S1PR1 P21453 1/20 0.39
HCAR3 P49019 1/20 0.37
ALDH1A1 P00352 4/20 0.37
ATM Q13315 1/20 0.36
CPB1 P15086 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CCR5 P51681 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 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
SCHEMBL5597777 0.88 DRD2 (0.46) DRD2DRD4DRD3CDC7HCAR3
SCHEMBL27565003 0.84 CDC7 (0.37) CDC7S1PR3S1PR1CCNA2CDK2
SCHEMBL28747748 0.83 CNR1 (0.37) DRD2DRD4DRD3CDC7SMN1; SMN2
SCHEMBL27565130 0.83 CDC7 (0.36) CDC7LMNAALDH1A1CCNA2CDK2
SCHEMBL27584981 0.83 HCAR2 (0.43) CDC7CCNA2CDK2CCNA1
SCHEMBL27584980 0.80 CCNA2 (0.47) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL27584807 0.80 MGLL (0.43) SMN1; SMN2KDM4ECCNA2CDK2CCNA1
SCHEMBL27584810 0.77 KMT2A (0.35) KMT2A
Chlorobenzene SCHEMBL27565141 0.77 DRD2 (0.37) DRD2DRD4DRD3CDC7KDM4E
SCHEMBL27584802 0.77 ALOX5 (0.45) LMNASMN1; SMN2ALDH1A1HPGDKMT2A

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-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP disclosed