SCHEMBL19554168

SCHEMBL19554168

O=C(Nc1ccc(Cl)cc1-c1nnn[nH]1)c1ccc2cc(F)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.43
GPR35 Q9HC97 4/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 1/20 0.39
MAOB P27338 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
LRRK2 Q5S007 1/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL19554341 0.87 HDAC3 (0.45) KCNMA1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL19554352 0.86 GPR35 (0.45) GPR35SMN1; SMN2MAOBRAB9ACYP1A2
SCHEMBL6713933 0.81 RXFP1 (0.41) KCNMA1GPR35SMN1; SMN2L3MBTL1RAB9A
SCHEMBL1307013 0.81 KCNMA1 (0.56) KCNMA1GPR35SMN1; SMN2LMNAL3MBTL1
SCHEMBL1308878 0.80 GPR35 (0.55) KCNMA1GPR35SMN1; SMN2L3MBTL1RAB9A
SCHEMBL19555065 0.80 GRIK1 (0.43) KCNMA1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL5474886 0.78 GRIK1 (0.44) SMN1; SMN2LMNARAB9A
SCHEMBL19554208 0.78 NOTUM (0.44) KCNMA1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL6708921 0.77 ALOX15 (0.51) ALOX15
SCHEMBL1307860 0.76 GPR35 (0.56) KCNMA1GPR35RAB9ACYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed