SCHEMBL9822085

SCHEMBL9822085

Cc1cc([S])n2nc(C(C)O)nc2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
SORD Q00796 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
PDE2A O00408 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 2/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9770445 0.82 KMT2A (0.38) KMT2AMEN1RECQLALDH1A1HTT
SCHEMBL9822064 0.81 KMT2A (0.37) KMT2AMEN1RECQLALDH1A1HTT
SCHEMBL10414519 0.79 SORD (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2SORD
SCHEMBL9822357 0.79
SCHEMBL9822245 0.79 MEN1 (0.34) KMT2AMEN1TSHR
SCHEMBL9822261 0.75 SORD (0.36) SORD
SCHEMBL10407053 0.72 KMT2A (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9822174 0.72 RECQL (0.53) KMT2ARECQLALDH1A1HTTSMN1; SMN2
SCHEMBL9770272 0.70 KMT2A (0.39) KMT2AMEN1RECQLALDH1A1HTT
SCHEMBL1681579 0.70 KMT2A (0.39) KMT2AMEN1RECQLALDH1A1HTT

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