SCHEMBL19554341

SCHEMBL19554341

O=C(Nc1ccc(Cl)cc1-c1nnn[nH]1)c1cnc2cc(F)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
SERPINE1 P05121 1/20 0.39
HPGDS O60760 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
KCNMA1 Q12791 1/20 0.37
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
F10 P00742 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL19554168 0.87 KCNMA1 (0.43) HDAC3TAS1R3TAS1R1TAS1R2KCNMA1
SCHEMBL19554150 0.80 KCNK2 (0.52) HDAC3SERPINE1
SCHEMBL1307013 0.75 KCNMA1 (0.56) SERPINE1KCNMA1RAB9ASMN1; SMN2
SCHEMBL5474886 0.74 GRIK1 (0.44) RAB9ASMN1; SMN2
SCHEMBL19575630 0.74 HDAC3 (0.46) HDAC3SERPINE1TAS1R3TAS1R1TAS1R2
SCHEMBL6713933 0.74 RXFP1 (0.41) KCNMA1KCNQ3KCNQ2NPC1ALDH1A1
SCHEMBL1308878 0.74 GPR35 (0.55) SERPINE1KCNMA1KCNQ3KCNQ2NPC1
SCHEMBL19554352 0.74 GPR35 (0.45) HDAC3NPC1RAB9ASMN1; SMN2
SCHEMBL6708921 0.73 ALOX15 (0.51) ALOX15
SCHEMBL23086154 0.73 SERPINE1 (0.52) SERPINE1NPC1RAB9A

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