SCHEMBL21893501

SCHEMBL21893501

Cc1nc(C)n(-c2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.40
ABHD16A O95870 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
PDE10A Q9Y233 3/20 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
SCHEMBL24359770 0.83 PDE10A (0.42) MAPK10MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2360545 0.81 MEN1 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12830382 0.80 MAPK10 (0.39) MAPK10PDE10A
SCHEMBL3758184 0.80 NPC1 (0.44) MAPK10MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20320623 0.80 KMT2A (0.53) MAPK10KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20320622 0.79 BRAF (0.41) MAPK10RAB9APTGS2
SCHEMBL18136489 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ALMNATSHR
SCHEMBL21849226 0.78 PSEN1 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL24655967 0.78 PPARA (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3958461 0.77 GPR52 (0.39) MAPK10MEN1KMT2ASMN1; SMN2NPC1

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed