SCHEMBL13439743

SCHEMBL13439743

CC1Nc2ccc(NC(=O)c3cc(N4CCC(O)CC4)cc(N4CCOCC4)n3)cc2C1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.42
BRAF P15056 6/20 0.42
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
GBA1 P04062 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKT1 P31749 2/20 0.38
CSF1R P07333 2/20 0.38
GLA P06280 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL13439938 0.95 MAPT (0.43) RAF1BRAFMAPTRAB9AALDH1A1
SCHEMBL13439915 0.89 MAPT (0.40) RAF1BRAFMAPTRAB9AALDH1A1
SCHEMBL13439917 0.88 DGAT1 (0.47) RAF1BRAFMAPTRAB9AALDH1A1
SCHEMBL13439916 0.84 MAPT (0.40) RAF1BRAFMAPTALDH1A1GBA1
SCHEMBL13439936 0.83 IRAK4 (0.48) RAF1BRAFMAPTALDH1A1GBA1
SCHEMBL13439747 0.83 RAF1 (0.42) RAF1BRAFMAPTRAB9AALDH1A1
SCHEMBL13439939 0.79 GRM4 (0.43) BRAFAKT1
SCHEMBL13439746 0.79 NAPEPLD (0.43) RAB9AALDH1A1SMN1; SMN2GBA1KDM4E
SCHEMBL11926320 0.78 GBA1 (0.45) RAF1BRAFMAPTRAB9AALDH1A1
SCHEMBL11926323 0.78 ALDH1A1 (0.43) RAF1BRAFMAPTRAB9AALDH1A1

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-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed