SCHEMBL8433508

SCHEMBL8433508

Nc1ccc(-c2c(-c3ccccc3)cc(C(F)(F)F)c(N)c2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 4/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP7 Q93009 1/20 0.35
ENPP1 P22413 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13385838 0.81 KIF11 (0.47) KIF11CYP3A4TAAR1HSD17B10TDP1
SCHEMBL2849367 0.81 ACHE (0.40) KIF11HSD17B10GLAPOLBGAA
SCHEMBL2871470 0.78 KIF11 (0.49) KIF11CYP3A4TAAR1HSD17B10TDP1
SCHEMBL29266608 0.78 ACHE (0.40) KIF11HSD17B10GLAPOLBGAA
SCHEMBL25241147 0.77 KIF11 (0.44) KIF11CYP3A4TDP1GLAPOLB
SCHEMBL30972576 0.77 HSD17B10 (0.44) KIF11CYP3A4TAAR1HSD17B10TDP1
SCHEMBL2202989 0.74 ACHE (0.40) KIF11HSD17B10GLAPOLBGAA
SCHEMBL30972581 0.74 HSD17B10 (0.44) KIF11CYP3A4TAAR1HSD17B10TDP1
SCHEMBL20262955 0.73 HSD17B10 (0.62) CYP3A4TAAR1HSD17B10TDP1GLA
SCHEMBL29720343 0.73 ACHE (0.42) KIF11HSD17B10POLBACHEBACE1

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-5976710-A HIGH DENSITY SEMICONDUCTORS; LOW THERMAL COEFFICIENT OF EXPANSION INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-11-02 US claimed
US-5115090-A Polyamic acids and polyimides for multilayer elements, imsulators and passivation layers INTERNATIONAL BUSINESS MACHINES CORPORATION 1992-05-19 US claimed
US-5976710-A HIGH DENSITY SEMICONDUCTORS; LOW THERMAL COEFFICIENT OF EXPANSION INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-11-02 US disclosed
US-5310863-A Polyimide materials with improved physico-chemical properties INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-05-10 US disclosed