SCHEMBL9687748

SCHEMBL9687748

Nc1ccc(-c2c(C(F)(C(F)F)C(F)(F)F)ccc(N)c2N)cc1N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL9446461 0.81 ALDH1A1 (0.38) MEN1KMT2ATDP1ALDH1A1
SCHEMBL1660706 0.72 SMN1; SMN2 (0.32) MEN1KMT2AALDH1A1
SCHEMBL4424761 0.70 ALDH1A1 (0.36) MEN1KMT2ATDP1KCNH2ALDH1A1
SCHEMBL9778808 0.69 KIF11 (0.35) TDP1ALDH1A1
SCHEMBL1660718 0.68 CD44 (0.34) TDP1ALDH1A1
SCHEMBL9784454 0.66
SCHEMBL28443534 0.66 CA12 (0.38)
SCHEMBL2763108 0.64 SMN1; SMN2 (0.36) MEN1KMT2ATDP1ALDH1A1
SCHEMBL28844840 0.64 GAA (0.52) MEN1KMT2AALDH1A1
SCHEMBL21835030 0.64 SMN1; SMN2 (0.30)

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-5120825-A Heat resistant hybrid HOECHST CELANESE CORP. (US) 1992-06-09 US disclosed
US-5075419-A Novel polybenzimidazolone polymers based hexafluoro aromatic tetraamines HOECHST CELANESE CORP. (US) 1991-12-24 US disclosed