SCHEMBL20919686

SCHEMBL20919686

O=C(Nc1ncc(Cl)cn1)C1(c2ccc(Br)cn2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 4/20 0.40
FFAR2 O15552 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 0.37
SORT1 Q99523 1/20 0.37
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
IDO1 P14902 1/20 0.36
FPR2 P25090 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL20898678 0.78 IDO1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2IDO1
SCHEMBL9936063 0.75 ALDH1A1 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL20919703 0.75 RAB9A (0.41) RAB9ANPC1ALDH1A1TSHRFPR2
SCHEMBL20919720 0.74 KDR (0.39) FFAR2IDO1
SCHEMBL9990405 0.74 OPRL1 (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL20898986 0.73 IDO1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2IDO1
SCHEMBL20919672 0.73 RAB9A (0.40) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9990471 0.73 KDM4E (0.39) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL20972276 0.72 IDO1 (0.57) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9989391 0.71 OPRL1 (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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