SCHEMBL6709171

SCHEMBL6709171

Nc1ccc(C2=CCC(c3ccccc3)(c3ccc(N)cc3)C=C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 4/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HPGD P15428 2/20 0.30

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
SCHEMBL7169779 0.95 HSD17B10 (0.39) CYP3A4TDP1HSD17B10TAAR1MEN1
SCHEMBL6750487 0.87 MAOA (0.45) CYP3A4TDP1HSD17B10TAAR1MEN1
SCHEMBL714828 0.83 CYP3A4 (0.39) CYP3A4TDP1HSD17B10TAAR1MEN1
SCHEMBL29085726 0.82 MAPT (0.34) CYP3A4TDP1HSD17B10TAAR1MEN1
Hydrochloric Acid SCHEMBL8638713 0.81 CYP3A4 (0.38) CYP3A4TDP1HSD17B10TAAR1MEN1
SCHEMBL8953979 0.81 HSD17B10 (0.42) CYP3A4TDP1HSD17B10TAAR1MEN1
SCHEMBL5848845 0.81 OPRM1 (0.44) TDP1KMT2AMAPTKDM4ELMNA
SCHEMBL5852516 0.80 HSD17B10 (0.46) CYP3A4TDP1HSD17B10TAAR1MEN1
SCHEMBL25383769 0.79 HSD17B10 (0.39) CYP3A4TDP1HSD17B10TAAR1MEN1
SCHEMBL21627243 0.78 NOTUM (0.38) HSD17B10MAPTSMN1; SMN2LMNANPC1

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
US-20040106699-A1 Ink capable of printing fine pattern and printed matter UBE INDUSTRIES, LTD. (JP) 2004-06-03 US disclosed
US-6461738-B2 HEAT AND SOLVENT RESISTANCE UBE INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
US-20010020081-A1 Polyimide-based insulating film composition, insulating film and insulating film-forming method UBE INDUSTRIES, LTD. (JP) 2001-09-06 US disclosed