SCHEMBL8075682

SCHEMBL8075682

NSNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
MAPT P10636 4/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA1 P00915 1/20 0.45
ALOX12 P18054 2/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 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
SCHEMBL11360130 0.79 IDO1 (0.52) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL21034357 0.75 IDO1 (0.48) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL29875311 0.75 IDO1 (0.48) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL109301 0.75 CYP3A4 (0.52) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL5355705 0.75 IDO1 (0.48) IDO1MAPTCYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL10435079 0.73 MAPT (0.56) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL28672152 0.73 IDO1 (0.46) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL5790558 0.73 IDO1 (0.46) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL24497367 0.71 CYP3A4 (0.48) IDO1MAPTCYP3A4MEN1KMT2A
Benzylhydrazine SCHEMBL176979 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389275-A2 SYSTEMS AND METHODS FOR CONTROL OF POLYMER REACTIONS AND PROCESSING USING AUTOMATIC CONTINUOUS ONLINE MONITORING Yokogawa Fluence Analytics, Inc. (US) 2024-06-26 EP disclosed
EP-0565351-B1 Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters LILLY CO ELI (US) 2000-08-23 EP disclosed
EP-0494118-B1 Process for 3-exomethylenecepham sulfoxide esters LILLY CO ELI (US) 1997-04-09 EP disclosed
US-5350845-A Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters ELI LILLY AND COMPANY (US) 1994-09-27 US disclosed
EP-0565351-A2 Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters ELI LILLY AND COMPANY (US) 1993-10-13 EP disclosed
EP-0494118-A1 Process for 3-exomethylenecepham sulfoxide esters ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
US-5126446-A Cyclization of 3-methyl-2-(4-chlorosulfinyl-2-oxo-3-amino-1-azetidinyl)-3-butenoic acid esters using lewis acid friedel-crafts catalyst, nitro compound, anhydrous conditions ELI LILLY AND COMPANY (US) 1992-06-30 US disclosed