SCHEMBL14149488

SCHEMBL14149488

C=C(C)N1CNc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
NOTUM Q6P988 2/20 0.43
HSD17B3 P37058 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
HPGD P15428 1/20 0.36
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NAMPT P43490 3/20 0.35
MAPT P10636 3/20 0.33
HDAC8 Q9BY41 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AHR P35869 1/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33

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
SCHEMBL11966963 0.83 MAPK1 (0.58) MAPK1NOTUMHSD17B3BRD4CREBBP
SCHEMBL27993916 0.77 MAPK1 (0.48) MAPK1NOTUMHSD17B3BRD4CREBBP
SCHEMBL12808085 0.77 NOTUM (0.61) NOTUMHSD17B3ALOX15HSD17B10NAMPT
SCHEMBL28413210 0.76 MAPK1 (0.47) MAPK1NOTUMHSD17B3BRD4CREBBP
SCHEMBL8561673 0.73 MAPK1 (0.51) MAPK1BRD4ALOX15NAMPTMAPT
SCHEMBL19673900 0.72 ALOX15 (0.41) MAPK1NOTUMHSD17B3BRD4CREBBP
SCHEMBL11923135 0.72 BRD4 (0.48) MAPK1HSD17B3BRD4CREBBPALOX15
SCHEMBL19657579 0.70 MAPK1 (0.54) MAPK1NOTUMHSD17B3BRD4CREBBP
SCHEMBL379244 0.70 MAPK1 (0.66) MAPK1NOTUMHSD17B3BRD4CREBBP
SCHEMBL8244060 0.69 NOTUM (0.68) MAPK1NOTUMHPGDALOX15HSD17B10

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-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed