SCHEMBL11705152

SCHEMBL11705152

COc1ccc2nc(NC(=O)c3ccc(C)cc3)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.68
NPC1 O15118 10/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
PKM P14618 3/20 0.68
KLF5 Q13887 2/20 0.65
OPRK1 P41145 1/20 0.65
IRAK4 Q9NWZ3 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.61
LMNA P02545 3/20 0.60
MAPT P10636 2/20 0.60
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57

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
SCHEMBL11705140 0.90 RAB9A (0.68) RAB9ANPC1MEN1KMT2APKM
SCHEMBL11703485 0.89 RAB9A (0.73) RAB9ANPC1MEN1KMT2APKM
SCHEMBL11207978 0.81 RAB9A (1.00) RAB9ANPC1MEN1KMT2APKM
SCHEMBL11700747 0.81 NPC1 (0.69) RAB9ANPC1MEN1KMT2APKM
SCHEMBL11705598 0.80 RAB9A (0.70) RAB9ANPC1MEN1KMT2APKM
SCHEMBL11706816 0.79 NPC1 (1.00) RAB9ANPC1MEN1KMT2APKM
SCHEMBL12391455 0.79 KDR (0.72) SMN1; SMN2LMNATUBB4ATUBBTUBA3C
SCHEMBL11703469 0.79 RAB9A (0.73) RAB9ANPC1MEN1KMT2APKM
SCHEMBL22193346 0.76 RAB9A (1.00) RAB9ANPC1MEN1KMT2APKM
SCHEMBL29610185 0.76 ALDH1A1 (0.60) RAB9ANPC1MEN1KMT2APKM

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