SCHEMBL22453640

SCHEMBL22453640

O=C(O)c1cccnc1Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.57
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 3/20 0.49
SERPINE1 P05121 2/20 0.48
CLCN2 P51788 1/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL22453641 0.95 DHODH (0.55) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22453002 0.93 DHODH (0.50) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22453313 0.91 DHODH (0.48) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22453315 0.90 DHODH (0.47) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22453494 0.89 CNR2 (0.56) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22452804 0.88 SERPINE1 (0.57) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22453314 0.87 DHODH (0.45) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22453073 0.86 DHODH (0.47) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22452767 0.86 SERPINE1 (0.58) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL22453316 0.84 DHODH (0.56) DHODHSMN1; SMN2MEN1RAB9AKMT2A

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
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed