SCHEMBL20919670

SCHEMBL20919670

CNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4cnc(OC)nc4)CCC3)cc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.43
HDAC3 O15379 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 2/20 0.42
IDO1 P14902 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 2/20 0.40
KDR P35968 1/20 0.39
GAA P10253 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
SCHEMBL20919941 0.94 HDAC1 (0.42) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL20919748 0.90 HDAC1 (0.43) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL20919736 0.90 IDO1 (0.43) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL20919671 0.89 HDAC1 (0.41) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL20920000 0.89 IDO1 (0.42) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL20919796 0.89 WNT3A (0.36) HDAC1IDO1KDR
SCHEMBL20919699 0.86 IDO1 (0.42) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL20919709 0.86 IDO1 (0.41) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL20919675 0.83 ALDH1A1 (0.58) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL20919712 0.81 KDR (0.41) IDO1KDR

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 5 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
WO-2019079614-A1 PICOLINAMIDE COMPOUNDS TEMPEST THERAPEUTICS, INC. (US) 2019-04-25 WO disclosed