SCHEMBL20919682

SCHEMBL20919682

CNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4ccc(Br)cn4)CCC3)cc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.44
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
IDO1 P14902 2/20 0.39
WNT3A P56704 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDR P35968 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
SCHEMBL20938113 0.88 HDAC1 (0.44) HDAC1ALDH1A1HTTIDO1WNT3A
SCHEMBL20919702 0.88 FFAR2 (0.44) HDAC1ALDH1A1HTTIDO1KDR
SCHEMBL20919680 0.86 ALDH1A1 (0.60) HDAC1ALDH1A1HTTRAB9ANPC1
SCHEMBL20919737 0.81 FFAR2 (0.43) HDAC1ALDH1A1IDO1WNT3AHDAC3
SCHEMBL20919675 0.80 ALDH1A1 (0.58) HDAC1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20919670 0.80 HDAC1 (0.43) HDAC1ALDH1A1KMT2AIDO1HDAC3
SCHEMBL20919699 0.80 IDO1 (0.42) HDAC1ALDH1A1IDO1HDAC3HDAC7
SCHEMBL20919701 0.79 GRM5 (0.39) HDAC1IDO1WNT3AHDAC3HDAC7
SCHEMBL20919712 0.78 KDR (0.41) IDO1KDR
SCHEMBL20919674 0.78 IDO1 (0.40) HDAC1ALDH1A1SMN1; SMN2IDO1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735410-A1 PICOLINAMIDE COMPOUNDS Tempest Therapeutics, Inc. (US) 2020-11-11 EP claimed
WO-2019079614-A1 PICOLINAMIDE COMPOUNDS TEMPEST THERAPEUTICS, INC. (US) 2019-04-25 WO claimed
EP-3735410-A1 PICOLINAMIDE COMPOUNDS Tempest Therapeutics, Inc. (US) 2020-11-11 EP disclosed
WO-2019079614-A1 PICOLINAMIDE COMPOUNDS TEMPEST THERAPEUTICS, INC. (US) 2019-04-25 WO disclosed