SCHEMBL7540410

SCHEMBL7540410

O=C(SCc1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
KMT2A Q03164 3/20 0.34
LYPLA2 O95372 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
PTPN1 P18031 1/20 0.30
GSK3B P49841 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3861595 0.75 CYP11B1 (0.37) ATMKMT2ANPC1RAB9ATP53
SCHEMBL7537847 0.72 KMT2A (0.33) KMT2AGPR139CYP1A2CYP2C19ALDH1A1
SCHEMBL8385586 0.70 ATM (0.32) ATM
Tibenzate SCHEMBL2110094 0.65 IDO1 (0.52) KMT2AGPR139SMN1; SMN2CYP2C19PTPN1
SCHEMBL7538966 0.65 KMT2A (0.32) KMT2AGPR139NPC1RAB9ASMN1; SMN2
Phosphonic Acid SCHEMBL8386850 0.64 ATM (0.32) ATM
SCHEMBL7543251 0.64 SIRT2 (0.39) KMT2ARAB9ACYP1A2CYP2C19HPGD
SCHEMBL9543154 0.64 ALDH1A1 (0.30) ATMSMN1; SMN2ALDH1A1
SCHEMBL19743582 0.63 CYP2C19 (0.49) KMT2AGPR139SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1562665 0.63 TSHR (0.42) KMT2ANPC1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468995-B1 ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 US disclosed
EP-0667868-B1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
CN-1116425-A New cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-07 CN disclosed
WO-1995007283-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed