SCHEMBL27877219

SCHEMBL27877219

Nc1cc(-c2ccccc2)c(C(F)(F)F)c(N)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ ACHE P22303 4/20 0.37
▸ MET P08581 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SMARCA2 P51531 2/20 0.35
▸ SMARCA4 P51532 2/20 0.35
▸ PBRM1 Q86U86 2/20 0.35
▸ BACE1 P56817 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
SCHEMBL21571496 0.85 HSD17B10 (0.42) HSD17B10ALDH1A1KDM4EPDE4APDE4B
SCHEMBL29065979 0.81 HSD17B10 (0.42) HSD17B10ALDH1A1KDM4EPDE4APDE4B
SCHEMBL29266608 0.80 ACHE (0.40) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL7211572 0.79 ALDH1A1 (0.43) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL27771054 0.79 HSD17B10 (0.43) HSD17B10ALDH1A1KDM4EACHEMET
Water SCHEMBL28272876 0.78 HSD17B10 (0.42) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL3793637 0.73 ALDH1A1 (0.56) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL21496766 0.73 ACHE (0.46) HSD17B10ALDH1A1KDM4EPDE4APDE4B
SCHEMBL2849367 0.73 ACHE (0.40) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL2202989 0.73 ACHE (0.40) HSD17B10ALDH1A1KDM4EACHEMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101195711-B Polyamic acid composition and alignment film prepared from same DALI POLYMER CO LTD 2012-07-04 — — CN disclosed
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