SCHEMBL11705140

SCHEMBL11705140

COc1ccc2[nH]c(NC(=O)c3ccc(C)cc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.68
NPC1 O15118 12/20 0.68
KMT2A Q03164 5/20 0.68
PKM P14618 4/20 0.68
MEN1 O00255 4/20 0.68
KLF5 Q13887 2/20 0.65
OPRK1 P41145 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.61
LMNA P02545 3/20 0.60
MAPT P10636 2/20 0.60
ESR1 P03372 1/20 0.56
TP53 P04637 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
AHR P35869 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.53
MTOR P42345 1/20 0.52
USP2 O75604 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CSNK1E P49674 1/20 0.52
CSNK1G3 Q9Y6M4 1/20 0.52

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
SCHEMBL11705152 0.90 RAB9A (0.68) RAB9ANPC1KMT2APKMMEN1
SCHEMBL11703469 0.89 RAB9A (0.73) RAB9ANPC1KMT2APKMMEN1
SCHEMBL31265132 0.82 TUBB4A (0.61) RAB9ANPC1KMT2APKMMEN1
SCHEMBL11207978 0.81 RAB9A (1.00) RAB9ANPC1KMT2APKMMEN1
SCHEMBL11700747 0.81 NPC1 (0.69) RAB9ANPC1KMT2APKMMEN1
SCHEMBL11705585 0.80 RAB9A (0.70) RAB9ANPC1KMT2APKMMEN1
SCHEMBL11706816 0.79 NPC1 (1.00) RAB9ANPC1KMT2APKMMEN1
SCHEMBL11703485 0.79 RAB9A (0.73) RAB9ANPC1KMT2APKMMEN1
SCHEMBL31265130 0.79 LMNA (0.53) RAB9ANPC1KMT2APKMMEN1
SCHEMBL25967687 0.78 IRAK4 (0.85) RAB9ANPC1KMT2APKMMEN1

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-4011236-A N-(BENZIMIDAZOL-2-YL)ARYLCARBOXAMIDES AS ULTRAVIOLET (UV) LIGHT ABSORBERS MERCK & CO., INC. (US) 1977-03-08 US disclosed