SCHEMBL8443554

SCHEMBL8443554

Cc1cc2ncc(C(=O)OC(c3ccccc3)c3ccccc3)c(N)n2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 4/20 0.44
TP53 P04637 3/20 0.44
KDR P35968 1/20 0.43
HSD17B10 Q99714 2/20 0.43
NFKB1 P19838 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL8439394 0.80 DGAT1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL237417 0.79 CYP1A2 (0.55) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL759906 0.77 CYP1A2 (0.59) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL237019 0.71 CYP1A2 (0.55) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10627775 0.71 NPC1 (0.74) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2755212 0.68 RAB9A (0.65) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL236593 0.68 NPC1 (0.56) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2755218 0.67 NPC1 (0.46) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL238840 0.67 NPC1 (0.64) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL2755213 0.67 RAB9A (0.83) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856320-A ANTIBIOTIC RESISTANT STAPYLOCOCCUS KATAYAMA SEIYAKUSYO CO., LTD. (JP) 1999-01-05 US disclosed
EP-0771803-A1 Pyrazolo(1,5-a)pyrimidinium substituted cephem derivatives, their preparation and their use as antimicrobial agents KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1997-05-07 EP disclosed