SCHEMBL4669165

SCHEMBL4669165

O=C(c1ccc2c(c1)N=Cc1c(Cl)cccc1S2)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.47
HPGD P15428 8/20 0.47
GLA P06280 1/20 0.45
ALDH1A1 P00352 2/20 0.43
STAT1 P42224 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
RORC P51449 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 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
SCHEMBL4799902 0.87 KMT2A (0.49) MEN1KMT2ANPC1TP53HPGD
SCHEMBL4145291 0.77 POLB (0.44) MEN1KMT2ANPC1TP53ALDH1A1
SCHEMBL5063069 0.76 KMT2A (0.63) MEN1KMT2ANPC1TP53HPGD
SCHEMBL4146318 0.73 CNR1 (0.35) TP53ALDH1A1RORCMAPTSMN1; SMN2
SCHEMBL4884821 0.72 CNR1 (0.59) MEN1KMT2ATP53HPGDALDH1A1
SCHEMBL4668903 0.72 CNR1 (0.54) NPC1SMN1; SMN2
SCHEMBL5057587 0.72 CNR1 (0.61) MEN1KMT2ANPC1TP53HPGD
SCHEMBL4146312 0.72 CNR1 (0.46) TP53HPGDMAPTSMN1; SMN2
SCHEMBL5057283 0.72 CNR1 (0.63) MEN1KMT2ANPC1TP53HPGD
SCHEMBL5062729 0.71 MEN1 (0.62) MEN1KMT2ANPC1TP53HPGD

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
EP-1937677-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE Arcadia Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO disclosed