SCHEMBL29065979

SCHEMBL29065979

Nc1cc(N)c(C(F)(F)F)c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ MET P08581 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ 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
▸ MAPT P10636 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMARCA2 P51531 1/20 0.35
▸ SMARCA4 P51532 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ TSHR P16473 2/20 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
SCHEMBL29065980 0.84 KDM4E (0.39) ALDH1A1KDM4EACHEKIF11MAPT
SCHEMBL27877219 0.81 HSD17B10 (0.42) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL21571496 0.78 HSD17B10 (0.42) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL3793637 0.77 ALDH1A1 (0.56) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL27974154 0.74 GLA (0.47) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL3923680 0.74 HSD17B10 (0.50) HSD17B10ALDH1A1KDM4EMAOAHPGD
SCHEMBL29266608 0.73 ACHE (0.40) HSD17B10ALDH1A1KDM4EACHEMET
SCHEMBL25135347 0.72 HSD17B10 (0.48) HSD17B10ALDH1A1KDM4EMAOAHPGD
SCHEMBL24129913 0.72 ACHE (0.45) HSD17B10KDM4EACHEMAOAKIF11
SCHEMBL3789296 0.72 TSHR (0.53) HSD17B10ALDH1A1KDM4EACHEMAOA

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-116715848-A Colorless polyimide film with high heat resistance and low birefringence, and preparation and application thereof 华南理工大学 2023-09-08 — — CN disclosed
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