SCHEMBL11233549

SCHEMBL11233549

CNC(=O)C(C(=NO)n1cncn1)C(C)(C)CF

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.31
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 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
SCHEMBL11241867 0.88 RAB9A (0.32) CYP26A1NPC1MITFMAPTPKM
SCHEMBL11230869 0.86 RAB9A (0.33) CYP26A1NPC1MITFMAPTPKM
SCHEMBL11235119 0.78 CYP26A1 (0.40) CYP26A1NPC1MITFMAPTPKM
SCHEMBL11237997 0.74 MEN1 (0.33) MAPTPKMSMN1; SMN2LMNA
SCHEMBL11660971 0.70
SCHEMBL11660976 0.70
SCHEMBL11234739 0.69 FAAH (0.43) CYP26A1MAPTPKMSMN1; SMN2LMNA
SCHEMBL11261748 0.66
SCHEMBL11225659 0.66
SCHEMBL11240740 0.66 ATM (0.35)

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
US-4344953-A INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US claimed
US-4344953-A INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed