SCHEMBL9257782

SCHEMBL9257782

COC(=O)CCc1nnc(-c2ccc(-c3ccc(C(=N)NC(=O)OCOC(C)=O)cc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 11/20 0.39
CSNK2A1 P68400 11/20 0.39
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLS O94925 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9257116 0.90 CSNK2A2 (0.42) CSNK2A2CSNK2A1KDM4ERAB9AMAPT
SCHEMBL9255491 0.82 CSNK2A2 (0.46) CSNK2A2CSNK2A1KDM4ERAB9AMAPT
SCHEMBL9254531 0.79 TMPRSS15 (0.43) CSNK2A2CSNK2A1MAPTHDAC6HPGD
SCHEMBL9260202 0.79 SMN1; SMN2 (0.39) CSNK2A2CSNK2A1KDM4ERAB9AMAPT
SCHEMBL9257842 0.73 HRH3 (0.34) RAB9AMAPTNPC1HPGDTSHR
SCHEMBL9254764 0.73 EPHX1 (0.38) RAB9AHDAC6KMT2AGLSSMN1; SMN2
SCHEMBL9250720 0.73 SMN1; SMN2 (0.39) CSNK2A2CSNK2A1KDM4EHDAC6HPGD
SCHEMBL9256954 0.71 CYP11B1 (0.47) KDM4ERAB9AMAPTNPC1KMT2A
SCHEMBL9247290 0.71 TMPRSS15 (0.35) CSNK2A2CSNK2A1RAB9ANR1H4HDAC6
SCHEMBL9250749 0.71 ALOX5 (0.30)

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed