SCHEMBL7308029

SCHEMBL7308029

CCCc1nn(C)c(C(N)=O)c1NC(=O)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.57
ROCK2 O75116 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GLS O94925 1/20 0.43
EPHX2 P34913 3/20 0.43
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDR P35968 1/20 0.40
CACNA1G O43497 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7319178 0.84 TERT (0.54) TERTNPC1RAB9AALDH1A1LMNA
SCHEMBL7315114 0.84 TERT (0.54) TERTNPC1RAB9AALDH1A1LMNA
SCHEMBL7316154 0.84 TERT (0.52) TERTNPC1RAB9AALDH1A1LMNA
SCHEMBL7313692 0.82 TERT (0.52) TERTLMNASMN1; SMN2MAPT
SCHEMBL7315148 0.78 AOC3 (0.51) TERTNPC1RAB9AEPHX2LMNA
SCHEMBL7305741 0.77 MAPK8 (0.49) TERTRAB9AALDH1A1
SCHEMBL6326110 0.75 TERT (0.55) TERTNPC1RAB9AALDH1A1LMNA
SCHEMBL7311743 0.75 TERT (0.53) TERTNPC1RAB9AALDH1A1LMNA
SCHEMBL8424358 0.69 EPHX2 (0.66) NPC1RAB9AEPHX2ALDH1A1LTA4H
SCHEMBL9370053 0.67 EPHX2 (0.71) NPC1RAB9AGLSEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911333-B1 Pyrazolo[4,3-d]pyrimidine derivatives and pharmaceutical compositions containing them PFIZER (US) 2002-04-10 EP disclosed
US-6235742-B1 CARDIOVASCULAR DISORDERS; ANTIALLERGENS PFIZER INC. 2001-05-22 US disclosed
EP-0911333-A1 Pyrazolo[4,3-d]pyrimidine derivatives and pharmaceutical compositions containing them PFIZER INC. (US) 1999-04-28 EP disclosed