SCHEMBL21065978

SCHEMBL21065978

NC(CSCc1ccccc1)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
ANPEP P15144 1/20 0.53
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SLC6A4 P31645 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP2D6 P10635 1/20 0.44
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 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
SCHEMBL13730908 1.00 EPHX1 (0.61) EPHX1ANPEPSLC6A2TAAR1SLC6A4
SCHEMBL20717822 0.84 EPHX1 (0.61) EPHX1ANPEPSLC6A2TAAR1SLC6A4
SCHEMBL2549520 0.82 EPHX1 (0.43) EPHX1CYP2D6
SCHEMBL7114970 0.82 EPHX1 (0.43) EPHX1CYP2D6
SCHEMBL1168400 0.82 EPHX1 (0.43) EPHX1CYP2D6
SCHEMBL5683174 0.82 ANPEP (0.57) EPHX1ANPEP
SCHEMBL10005631 0.81 EPHX1 (0.70) EPHX1ANPEPSLC6A2TAAR1SLC6A4
SCHEMBL989960 0.81 EPHX1 (0.70) EPHX1ANPEPSLC6A2TAAR1SLC6A4
SCHEMBL22013209 0.81 EPHX1 (0.44) EPHX1SLC6A2TAAR1SLC6A4MAOA
Hydrochloric Acid SCHEMBL5681153 0.81 ANPEP (0.55) EPHX1ANPEP

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-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed
CN-103826661-B Novel binding agent-drug conjugates (ADCs) and uses thereof 西雅图基因公司 2019-03-05 CN disclosed