SCHEMBL9255355

SCHEMBL9255355

COC(=O)CCc1cc(-c2ccc(-c3ccc(C(=N)N)cc3)cc2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
F2 P00734 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TMPRSS15 P98073 6/20 0.40
RAB9A P51151 3/20 0.39
ALPL P05186 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL9252117 0.85 NR1H4 (0.63) NR1H4F2TMPRSS15ALPLPRSS1
SCHEMBL9257707 0.83 F2 (0.44) MAPTLMNAF2ALDH1A1RAB9A
SCHEMBL9251700 0.78 DGAT1 (0.44) LMNAF2TMPRSS15RAB9AF10
SCHEMBL9252726 0.77 TMPRSS15 (0.38) MAPTF2GAATMPRSS15F10
SCHEMBL9258255 0.74 MEN1 (0.49) MAPTLMNAF2ALDH1A1MEN1
SCHEMBL8948996 0.74 ITGB3 (0.43) NR1H4F2ITGB3ITGA2B
SCHEMBL15728525 0.74 HCAR2 (0.42) NR1H4MAPTLMNAALDH1A1KMT2A
SCHEMBL9254605 0.74 ITGB3 (0.41) ALDH1A1GAATMPRSS15RAB9APOLB
SCHEMBL9254667 0.73 F2 (0.41) LMNAF2TMPRSS15RAB9ANPC1
SCHEMBL9253817 0.73 TMPRSS15 (0.38) F2TMPRSS15F10PRSS1ITGB3

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