SCHEMBL24254599

SCHEMBL24254599

COc1ccc(-c2c(Cl)nc3ccccn3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 2/20 0.54
USP7 Q93009 1/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 2/20 0.53
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 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
SCHEMBL24254607 0.84 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPK1USP7
SCHEMBL15286671 0.83 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2USP7KDM4E
SCHEMBL15286810 0.83 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2USP7KDM4E
SCHEMBL3960302 0.79 ENPP2 (0.52) RAB9ANPC1SMN1; SMN2USP7KDM4E
SCHEMBL3959990 0.78 MAPT (0.51) RAB9ANPC1SMN1; SMN2USP7KDM4E
SCHEMBL15286813 0.76 KDM4E (0.59) RAB9ANPC1SMN1; SMN2MAPK1USP7
SCHEMBL8874767 0.75 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPK1USP7
SCHEMBL3958412 0.74 ENPP2 (0.62) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL22627444 0.73 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPK1USP7
SCHEMBL8108255 0.73 KDM4E (0.65) RAB9ANPC1SMN1; SMN2USP7KDM4E

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
WO-2022036033-A2 SOLID STATE FORMS OF AN ORGANIC COMPOUND SERVIER PHARMACEUTICALS, LLC (US) 2022-02-17 WO disclosed