SCHEMBL11224907

SCHEMBL11224907

CCOC(=O)Cc1nnc(S)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CHEK1 O14757 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AKT1 P31749 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL28856012 0.81 HSD17B10 (0.50) HSD17B10CA12CA1CA2CA9
SCHEMBL24129893 0.72 HSD17B10 (0.56) HSD17B10CHEK1LMNAMAPK1SMN1; SMN2
SCHEMBL443306 0.71 CA12 (0.56) HSD17B10CA12CA1CA2CA9
SCHEMBL24129892 0.70 HSD17B10 (0.41) HSD17B10CA12CA1CA2CA9
SCHEMBL874500 0.70 LMNA (0.48) HSD17B10CA12CA1CA2CA9
SCHEMBL8625346 0.70 HSD17B10 (0.47) HSD17B10CA12CA1CA2CA9
SCHEMBL25914348 0.69 RAB9A (0.61) HSD17B10LMNAMAPK1RAB9AKDM4E
SCHEMBL688262 0.69 CA12 (0.53) HSD17B10CA12CA1CA2CA9
SCHEMBL11530302 0.69 CA12 (0.49) HSD17B10CA12CA1CA2CA9
SCHEMBL11223443 0.69 CA12 (0.49) HSD17B10CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US disclosed
US-4308381-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US disclosed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US disclosed