SCHEMBL11195367

SCHEMBL11195367

O=C(CCl)NCCC(Nc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.57
▸ ALDH1A1 P00352 6/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ MAPT P10636 4/20 0.51
▸ HTT P42858 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ ALPL P05186 1/20 0.51
▸ ALPI P09923 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HPGD P15428 2/20 0.49
▸ TP53 P04637 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ CNR1 P21554 2/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL11200284 0.88 ALDH1A1 (0.50) CASRALDH1A1MAPTHTTLMNA
SCHEMBL11202190 0.86 ALDH1A1 (0.47) CASRALDH1A1KMT2AMAPTHTT
SCHEMBL11198968 0.86 CASR (0.56) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL11204046 0.84 CASR (0.54) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL11199570 0.84 CASR (0.48) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL11196859 0.82 LMNA (0.49) CASRALDH1A1HTTLMNANPSR1
SCHEMBL11196992 0.80 EPHX2 (0.63) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL11200327 0.80 CNR1 (0.50) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL11203072 0.80 ALDH1A1 (0.45) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL11200290 0.79 CNR1 (0.44) CASRALDH1A1HTTLMNAHPGD

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
US-4379926-A DIURETICS AYERST, MCKENNA & HARRISON LTD. (CA) 1983-04-12 — — US disclosed
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