SCHEMBL8313808

SCHEMBL8313808

COCCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 7/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
THRB P10828 1/20 0.53
GAA P10253 3/20 0.51
HTT P42858 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALPG P10696 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KAT2B Q92831 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
SCHEMBL27847152 0.86 MAPT (0.58) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL29064843 0.83 ALDH1A1 (0.57) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL7745956 0.83 LMNA (0.57) MAPTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL117687 0.83 GAA (0.56) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL8115811 0.82 MAPT (0.71) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL739095 0.82 MAPT (0.64) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8313477 0.82 KAT2B (0.69) MAPTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL6474886 0.81 LMNA (0.57) MAPTSMN1; SMN2RAB9APOLBLMNA
SCHEMBL741469 0.81 MAPT (0.70) MAPTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL1046670 0.81 LMNA (0.57) MAPTSMN1; SMN2RAB9ANPC1POLB

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-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed