SCHEMBL9737748

SCHEMBL9737748

C(=CC1OCCO1)c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41
CFTR P13569 2/20 0.40
LMNA P02545 3/20 0.38
PDE6D O43924 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL9737274 0.77 CFTR (0.43) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL9736666 0.77 CFTR (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL9737277 0.77 CFTR (0.43) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL9698004 0.76 CFTR (0.50) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL9700274 0.71 CFTR (0.42) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL18152788 0.70 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDTSHRCFTR
SCHEMBL28111190 0.68 CFTR (0.50) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL18152817 0.68 TNF (0.57) ALDH1A1KDM4EHPGDTSHRCFTR
SCHEMBL6369209 0.68 CCR2 (0.45) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL6369211 0.68 CCR2 (0.45) ALDH1A1KDM4EHPGDLMNASMN1; SMN2

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