SCHEMBL9737752

SCHEMBL9737752

O=C(CCCCCl)c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.43
CFTR P13569 1/20 0.42
PTGIR P43119 3/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
PDE6D O43924 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37

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
SCHEMBL6553446 0.76 AR (0.51) FAAHCFTRALDH1A1CYP1A2CYP2C9
SCHEMBL9738124 0.75 CFTR (0.41) FAAHCFTRLMNAALDH1A1USP2
SCHEMBL9738120 0.75 CFTR (0.41) FAAHCFTRLMNAALDH1A1USP2
SCHEMBL6553811 0.70 CYP19A1 (0.47) LMNAALDH1A1SMN1; SMN2
SCHEMBL7042641 0.70 DRD2 (0.53) ALDH1A1CNR1
SCHEMBL18152788 0.70 ALDH1A1 (0.61) CFTRLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL18152817 0.68 TNF (0.57) FAAHCFTRLMNAALDH1A1MAPK1
SCHEMBL28111190 0.68 CFTR (0.50) CFTRLMNAALDH1A1USP2CYP1A2
SCHEMBL9698004 0.68 CFTR (0.50) FAAHCFTRLMNAALDH1A1USP2
SCHEMBL18152842 0.68 CFTR (0.47) CFTRLMNAALDH1A1USP2CYP1A2

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
WO-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 WO disclosed