SCHEMBL9253767

SCHEMBL9253767

COC(=O)CCc1csc(C2CCN(c3ccc(C(=N)N)cn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.43
TMPRSS15 P98073 6/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 7/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9250984 0.89 UBE2T (0.46) UBE2TTMPRSS15NPC1RAB9AALDH1A1
SCHEMBL9251456 0.87 ITGB3 (0.42) TMPRSS15GPR119ITGB3ITGA2B
SCHEMBL9248315 0.78 UBE2T (0.44) UBE2TTMPRSS15NPC1RAB9AALDH1A1
SCHEMBL9253831 0.76 UBE2T (0.40) UBE2TTMPRSS15NPC1RAB9AALDH1A1
SCHEMBL9248091 0.76 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL9253885 0.74 UBE2T (0.44) UBE2TTMPRSS15NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL9169455 0.73 TMPRSS15 (0.56) UBE2TTMPRSS15ALDH1A1HPGDITGB3
SCHEMBL9250619 0.72 ITGB3 (0.47) TMPRSS15ITGB3ITGA2B
SCHEMBL9253913 0.71 PRMT1 (0.53) ALDH1A1TSHRHPGDLMNAMAPT
Hydrochloric Acid SCHEMBL9173848 0.70 UBE2T (0.47) UBE2TTMPRSS15HRH3

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