SCHEMBL8615932

SCHEMBL8615932

OC(c1ccccc1)n1cnc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.65
MEN1 O00255 1/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 1/20 0.65
HDAC8 Q9BY41 1/20 0.47
HTT P42858 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
STAT6 P42226 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AGER Q15109 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TNF P01375 1/20 0.42

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
SCHEMBL5865198 0.81 MEN1 (0.69) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL6094420 0.81 HSD17B10 (0.58) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL7514337 0.81 HSD17B10 (0.58) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL16504441 0.80 HSD17B10 (0.57) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL15539513 0.79 MEN1 (1.00) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL3304570 0.79 MEN1 (1.00) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL15540388 0.79 MEN1 (1.00) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL17889739 0.78 RPS6KA5 (0.45) HSD17B10MEN1HPGDKMT2ALMNA
SCHEMBL11584961 0.78 KMT2A (0.59) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL9754107 0.78 HSD17B10 (0.54) HSD17B10MEN1HPGDKMT2AHDAC8

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-0599881-B1 GALLIUM (III) COMPLEXES, PROCESS FOR THEIR OBTENTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM COLLERY PHILIPPE (FR) 1998-05-13 EP claimed