SCHEMBL20008581

SCHEMBL20008581

C=C/C(=C\C(=N/N(C)C)c1cc(C)ccc1C)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
FAAH O00519 1/20 0.32
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL20008429 0.71 TP53 (0.40) TP53RAB9ANPC1MEN1KMT2A
SCHEMBL15306495 0.65 HPGD (0.57) TP53RAB9ANPC1MEN1KMT2A
SCHEMBL12846473 0.63 HPGD (0.58) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL20009541 0.63 TP53 (0.32) TP53RAB9ANPC1MEN1KMT2A
SCHEMBL20008272 0.63 TP53 (0.40) TP53RAB9ANPC1MEN1KMT2A
SCHEMBL20008223 0.63 TP53 (0.39) TP53RAB9ANPC1MEN1KMT2A
SCHEMBL27451509 0.62 FFAR1 (0.32) SMN1; SMN2GAA
SCHEMBL16956618 0.59 MEN1 (0.42) TP53MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5598157 0.58 ALDH1A1 (0.35) TP53MEN1KMT2AHPGD
SCHEMBL13518614 0.58 MEN1 (0.49) TP53NPC1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed