SCHEMBL20008272

SCHEMBL20008272

C/C(=C\C(=N)c1cc(C)ccc1C)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 1/20 0.35
FAAH O00519 1/20 0.35
TSHR P16473 3/20 0.35
CYP2D6 P10635 2/20 0.35
HPGD P15428 3/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL20008223 0.79 TP53 (0.39) TP53NPC1RAB9ALMNAMEN1
SCHEMBL20008429 0.74 TP53 (0.40) TP53ALDH1A1NPC1RAB9AUSP2
SCHEMBL12846473 0.71 HPGD (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL15306495 0.70 HPGD (0.57) TP53ALDH1A1NPC1RAB9AMEN1
SCHEMBL23011778 0.67 MEN1 (0.46) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL25732408 0.67 CYP2D6 (0.40) TP53ALDH1A1LMNAMEN1KMT2A
SCHEMBL20008621 0.67 KMT2A (0.34) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL20008150 0.67 RAB9A (0.41) ALDH1A1NPC1RAB9ALMNAKMT2A
SCHEMBL25732476 0.66 CYP2D6 (0.41) TP53ALDH1A1NPC1LMNAMEN1
SCHEMBL16959282 0.63 MEN1 (0.48) TP53ALDH1A1MEN1KMT2ASMN1; 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