SCHEMBL8213611

SCHEMBL8213611

CN(C)c1ncnc(F)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
CREBBP Q92793 1/20 0.39
DYRK1A Q13627 2/20 0.35
HPGD P15428 2/20 0.33
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 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
SCHEMBL2893718 0.73 HSD17B10 (0.41) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL2491794 0.71 ALDH1A1 (0.47) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL29581593 0.71 ALDH1A1 (0.47) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL715925 0.71 HSD17B10 (0.39) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL28627551 0.71 HSD17B10 (0.39) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL10351402 0.71 HSD17B10 (0.39) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL25426175 0.71 LMNA (0.35) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL6547905 0.71 LMNA (0.59) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL9105174 0.68 TP53 (0.46) HSD17B10CYP1A2LMNATHRBBLM
SCHEMBL23028717 0.68 OPRM1 (0.39) HSD17B10CYP1A2LMNATHRBBLM

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
US-6114511-A FIBER REACTIVE MONOAZO DYES, ARE CAPABLE OF DYEING HYDROXYL-AND/OR CARBOXAMIDO-CONTAINING MATERIAL, ESPECIALLY FIBER MATERIAL SUCH AS COTTON, WOOL, SYNTHETIC POLYAMIDE OR POLYESTER FIBERS, HIGH COLOR STRENGTH AND FASTNESS DYSTAR TEXTILFARBEN GMBH & CO. (DE) 2000-09-05 US disclosed