SCHEMBL19554161

SCHEMBL19554161

N#Cc1ccc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA7 P43166 1/20 0.56
SERPINE1 P05121 11/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
ALB P02768 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNK2 O95069 1/20 0.49
KCNK10 P57789 1/20 0.49

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
SCHEMBL6352338 0.88 KMT2A (0.57) ALBMEN1KMT2A
SCHEMBL19554134 0.87 SERPINE1 (0.68) CA2CA9CA12CA1CA7
SCHEMBL19554146 0.86 DHODH (0.66) AKR1C4AKR1C3AKR1C2AKR1C1ALB
SCHEMBL19554335 0.86 ALB (0.51) CA2CA9CA12CA1CA7
SCHEMBL6357017 0.85 MEN1 (0.64) CA2CA9CA12CA1CA7
SCHEMBL6359401 0.83 ALB (0.63) SERPINE1ALBMEN1KMT2A
SCHEMBL19554348 0.83 ALB (0.48) AKR1C2AKR1C1ALBMEN1KMT2A
SCHEMBL19554136 0.82 MEN1 (0.48) CA2CA9CA12CA1CA7
SCHEMBL6346687 0.81 ALB (0.60) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554190 0.81 KMT2A (0.49) CA2CA9CA12CA1CA7

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