SCHEMBL9822191

SCHEMBL9822191

O=C(O)c1cc([S])n2nc(CO)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9822026 0.88 RECQL (0.36) TSHRALOX15HIF1AKDM4ERECQL
SCHEMBL10407102 0.87 ALOX15 (0.33) TSHRALOX15HIF1AKDM4ERECQL
SCHEMBL10407378 0.87 KDM4E (0.38) TSHRALOX15HIF1AKDM4EHCAR2
SCHEMBL9822230 0.83 HCAR2 (0.39) TSHRALOX15HIF1AKDM4EHCAR2
SCHEMBL9822118 0.82 TSHR (0.34) TSHRALOX15HIF1AKDM4EHCAR2
SCHEMBL10407464 0.80 MEN1 (0.38) TSHRALOX15HIF1AKDM4EHCAR2
SCHEMBL9822174 0.76 RECQL (0.53) TSHRKDM4ERECQLALDH1A1HTT
SCHEMBL10407780 0.75 ALDH1A1 (0.41) TSHRALOX15HIF1AKDM4EALDH1A1
SCHEMBL9822117 0.74 RECQL (0.33) RECQLALDH1A1HTT
SCHEMBL9822245 0.74 MEN1 (0.34) TSHRALOX15HIF1AHCAR2MEN1

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-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed