SCHEMBL6990789

SCHEMBL6990789

CSc1nnc(-c2c(C)nc3ccc(CO)c(-c4ccc(Cl)cc4)c3c2-c2cccc(Cl)c2)n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
KDM4E B2RXH2 4/20 0.35
TLR8 Q9NR97 2/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
GLP1R P43220 1/20 0.33
PLA2G2A P14555 1/20 0.33
FABP3 P05413 1/20 0.33

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
SCHEMBL7095009 0.88 KDM4E (0.34) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7093338 0.76 MAPT (0.38) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7092809 0.74 MAPT (0.38) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7093488 0.74 FNTA (0.35) KDM4EPLA2G2AFABP3FABP4
SCHEMBL7094385 0.72 IDO1 (0.48)
SCHEMBL6995025 0.70 CSF1R (0.38) ALDH1A1GAA
SCHEMBL7089979 0.68 RORC (0.41) ALDH1A1
SCHEMBL7095527 0.66 IDO1 (0.44)
SCHEMBL7087668 0.65 IDO1 (0.39) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7092213 0.64 IDO1 (0.39) MAPTLMNAKMT2A

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
EP-1322635-A1 FARNESYL TRANSFERASE INHIBITING QUINOLINE AND QUINAZOLINE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024682-A1 FARNESYL TRANSFERASE INHIBITING QUINOLINE AND QUINAZOLINE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed