SCHEMBL8970419

SCHEMBL8970419

Nc1ccc(C(c2ccc(Oc3ccc(C(c4ccc(N)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 5/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
MAOA P21397 2/20 0.50
MAOB P27338 3/20 0.48
TEAD4 Q15561 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
NLRP1 Q9C000 1/20 0.47

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
SCHEMBL9741841 1.00 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL26840181 1.00 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL50129 1.00 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL29962290 1.00 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL8644359 0.98 ALDH1A1 (0.57) ALDH1A1MAPTNPC1RAB9AHPGD
Lithium SCHEMBL31026807 0.98 ALDH1A1 (0.57) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL6752822 0.94 KIF11 (0.53) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL23643770 0.93 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL29140665 0.93 MAOA (0.59) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL13883836 0.91 TEAD4 (0.66) ALDH1A1MAPTNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172462-A1 Novel Interpenetrating Polymer Networks and Uses Thereof UNIVERSITE DE CERGY-PONTOISE (FR) 2012-07-05 US disclosed
US-20120172462-A1 Novel Interpenetrating Polymer Networks and Uses Thereof UNIVERSITE DE CERGY-PONTOISE (FR) 2012-07-05 US disclosed
WO-2010066964-A1 NOVEL INTERPENETRATING POLYMER NETWORKS AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-06-17 WO disclosed
EP-0695955-A2 Polyimide resin compositions for optical filters MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-07 EP disclosed