SCHEMBL9701997

SCHEMBL9701997

Clc1ccc(-c2cn3nccnc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.60
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 8/20 0.60
HPGD P15428 6/20 0.60
GAA P10253 5/20 0.60
GLA P06280 3/20 0.60
NPC1 O15118 11/20 0.53
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
APAF1 O14727 1/20 0.52
TP53 P04637 3/20 0.50
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A3 P47895 1/20 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
SCHEMBL10797169 0.84 RAB9A (0.64) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL9702278 0.83 RAB9A (0.53) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL17750392 0.83 RAB9A (0.60) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL23458469 0.83 RAB9A (0.49) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL9700913 0.82 RAB9A (0.51) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL10803663 0.80 APP (0.51) RAB9AALDH1A1KDM4EGAANPC1
SCHEMBL1692157 0.75 ALDH1A1 (1.00) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL9702800 0.70 KDM4E (0.62) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL23486250 0.69 RAB9A (0.40) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL17750400 0.69 KDM4E (0.84) RAB9AALDH1A1KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992012154-A1 IMIDAZOTRIAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-23 WO disclosed