SCHEMBL2456151

SCHEMBL2456151

Cc1nn(C)cc1C(=O)NC1Cc2ccsc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
GAA P10253 5/20 0.41
NAMPT P43490 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALPL P05186 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
PRMT5 O14744 1/20 0.38
NR3C1 P04150 2/20 0.37
CHRM4 P08173 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
USP30 Q70CQ3 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2459809 0.78 RAB9A (0.40) RAB9ANPC1ALDH1A1LMNACHRM4
SCHEMBL2454974 0.74 NPC1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2454980 0.74 EGFR (0.42) RAB9ANPC1SMN1; SMN2LMNACHRM4
SCHEMBL2454948 0.73 CNR1 (0.48) GAARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2460594 0.72 ROCK2 (0.51) NAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL2456117 0.72 HPGD (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2458764 0.71 HDAC1 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2461640 0.70 CNR2 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL684122 0.70 ATM (0.61) ATMGAANAMPTRAB9ANPC1
SCHEMBL2456197 0.70 PRKCI (0.45) GAARAB9ANPC1ALDH1A1SMN1; SMN2

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-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed