SCHEMBL7593591

SCHEMBL7593591

NCC(=O)N(Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
PAX8 Q06710 4/20 0.42
GLA P06280 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
ADRA2C P18825 1/20 0.40
TSHR P16473 2/20 0.39
AOC3 Q16853 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL11870179 0.86 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL5143601 0.81 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL5143600 0.81 KMT2A (0.50) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL4334073 0.80 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL3156128 0.79 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL15667384 0.78 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL1561385 0.78 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL28179383 0.78 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL7364286 0.77 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL3154354 0.76 TP53 (0.62) ALDH1A1NPC1RAB9AKMT2AHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020012975-A1 Production of amino acids and enzymes used therefor PAGE MICHAEL IVAN (GB) 2002-01-31 US disclosed
US-6268185-B1 BY ENANTIOSELECTIVE CONVERSION OF A RACEMIC MIXTURE OF ALPHA-AMINO AMIDES TO THE CORRESPONDING ALPHA-AMINO ACID USING AN AMIDASE ENZYME FROM SPECIFIC RHODOCOCCUS CULTURE CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2001-07-31 US disclosed
EP-0910661-A1 PRODUCTION OF AMINO ACIDS AND ENZYMES USED THEREFOR Ciba Specialty Chemicals Water Treatments Limited (GB) 1999-04-28 EP disclosed
WO-1998004733-A1 PRODUCTION OF AMINO ACIDS AND ENZYMES USED THEREFOR ALLIED COLLOIDS LIMITED (GB) 1998-02-05 WO disclosed