SCHEMBL9756852

SCHEMBL9756852

O=C(C=Cc1ccnc2ccccc12)Nc1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
HTT P42858 3/20 0.48
HSP90AA1 P07900 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
HPGD P15428 6/20 0.43
LMNA P02545 4/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
CYP1A2 P05177 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL9756988 0.79 MAPT (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3528103 0.78 HDAC6 (0.59) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3528098 0.78 HDAC6 (0.59) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9756853 0.77 KMT2A (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12251210 0.77 MAPT (0.56) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9756899 0.75 HDAC6 (0.60) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12302834 0.74 ALDH1A1 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12251068 0.74 ALDH1A1 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2385787 0.73 MAPT (0.62) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2385781 0.73 MAPT (0.62) MAPTNPC1RAB9AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US claimed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP claimed