SCHEMBL10967741

SCHEMBL10967741

Nc1ccc(N=C2NCCN2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.31
TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL10977724 0.98 CYP3A4 (0.39) ALOX15CYP3A4HSD17B10KDM4EMEN1
Hydrochloric Acid SCHEMBL10978246 0.98 CYP3A4 (0.39) ALOX15CYP3A4HSD17B10KDM4EMEN1
SCHEMBL10969178 0.86 ALDH1A1 (0.38) ALOX15HSD17B10KDM4EMEN1GAA
Hydrochloric Acid SCHEMBL10974604 0.84 ALDH1A1 (0.37) ALOX15HSD17B10KDM4EMEN1GAA
SCHEMBL9421173 0.83 PTGS1 (0.37) ALOX15HSD17B10KDM4EMEN1POLB
Bromide SCHEMBL11354189 0.77 ACHE (0.39) ALOX15CYP3A4HSD17B10KDM4EMEN1
Bromide SCHEMBL11356265 0.77 SELL (0.31)
SCHEMBL5154750 0.75 TDP1 (0.41) CYP3A4KDM4EMEN1MAPTRAB9A
SCHEMBL5153906 0.75 LMNA (0.33) HSD17B10MAPT
Hydrochloric Acid SCHEMBL10884932 0.74 TDP1 (0.39) CYP3A4KDM4EMEN1MAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086126-B1 IMIDAZOLINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL APPLICATION SYNTHELABO (FR) 1985-07-24 EP claimed
US-4492709-A VISION DEFECTX SYNTHELABO (FR) 1985-01-08 US disclosed