SCHEMBL4574791

SCHEMBL4574791

C=C(c1ccc(F)cc1Cl)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
P2RX7 Q99572 7/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 3/20 0.44
USP2 O75604 1/20 0.44
HSD11B1 P28845 1/20 0.44
RAB9A P51151 2/20 0.40

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
SCHEMBL1943292 0.83 RAB9A (0.51) MEN1KMT2AALDH1A1NPC1HPGD
SCHEMBL4963151 0.80 HPGD (0.44) ALDH1A1HPGDRAB9A
SCHEMBL5776033 0.79 CES2 (0.46) MEN1KMT2AALDH1A1RAB9A
SCHEMBL4965838 0.75 KMT2A (0.47) MEN1KMT2AALDH1A1NPC1HPGD
SCHEMBL18544668 0.74 LMNA (0.50) MEN1KMT2AALDH1A1NPC1HPGD
SCHEMBL5771336 0.74 HPGD (0.44) MEN1KMT2ANPC1HPGDUSP2
SCHEMBL1942112 0.71 ALOX5 (0.51) MEN1KMT2AALDH1A1NPC1HPGD
SCHEMBL4574595 0.70 LMNA (0.46) MEN1KMT2AALDH1A1NPC1HPGD
SCHEMBL5773245 0.69 SMN1; SMN2 (0.58) ALDH1A1NPC1HPGDRAB9A
SCHEMBL4962542 0.68 HPGD (0.50) MEN1KMT2AALDH1A1NPC1HPGD

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-2008095912-A2 ENANTIOPURE PHARMACOLOGICALLY ACTIVE TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-08-14 WO disclosed