SCHEMBL8301795

SCHEMBL8301795

COC(=O)c1ccc(OCC#N)c2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.43
PIM1 P11309 1/20 0.43
JAK1 P23458 3/20 0.38
JAK3 P52333 3/20 0.38
NUDT1 P36639 1/20 0.38
NR4A2 P43354 3/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
BTK Q06187 1/20 0.35
MAP2K1 Q02750 1/20 0.35
CREBBP Q92793 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
P2RX7 Q99572 2/20 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
SCHEMBL2588280 0.81 PIM3 (0.50) PIM3PIM1NR4A2KDM4EALDH1A1
SCHEMBL8307738 0.79 BRD4 (0.48) PIM3PIM1ALDH1A1HSD17B10BTK
SCHEMBL8309106 0.78 BRD4 (0.34) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL7497434 0.77 PIM3 (0.55) PIM3PIM1NUDT1NR4A2KDM4E
SCHEMBL8303111 0.74 PDE1A (0.39)
SCHEMBL8306799 0.73 CDK8 (0.39) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2589245 0.73 NR4A2 (0.60) PIM3PIM1NUDT1NR4A2KDM4E
SCHEMBL16174497 0.72 MAPT (0.41) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL14774594 0.72 PIM3 (0.50) PIM3PIM1NUDT1NR4A2KDM4E
SCHEMBL22587514 0.72 PIM3 (0.50) PIM3PIM1NUDT1NR4A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed