SCHEMBL9737464

SCHEMBL9737464

O=C(O)[C@H]1[C@@H]2CSC(c3ccccc3)N2C(=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30480079 1.00 CYP2C9 (0.46) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL9737057 1.00 CYP2C9 (0.46) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL9680323 0.85 CYP2C9 (0.40) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL5739403 0.85 CYP2C9 (0.40) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL28395791 0.85 CYP2C9 (0.40) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL9678848 0.85 CYP2C9 (0.40) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL24741355 0.85 KMT2A (0.45) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL5739207 0.85 KMT2A (0.45) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL5739211 0.85 KMT2A (0.45) CYP2C9CYP2C19MEN1KMT2AHPGD
SCHEMBL38657586 0.85 KMT2A (0.45) CYP2C9CYP2C19MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095118-A PROCESS FOR THE PREPARATION OF D-(+)-BIOTIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-10 US disclosed
US-4937351-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-26 US disclosed
US-4877882-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed
US-4837402-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-06-06 US disclosed
US-4732987-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-03-22 US disclosed