SCHEMBL7922956

SCHEMBL7922956

Nc1ccc(/C=C/C(=O)c2ccccc2)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 2/20 0.57
▸ TYR P14679 1/20 0.56
▸ BCHE P06276 3/20 0.55
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ PLIN1 O60240 1/20 0.51
▸ TNFRSF1A P19438 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ PLIN5 Q00G26 1/20 0.51
▸ ABHD5 Q8WTS1 1/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP3A4 P08684 3/20 0.49
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ NFKB1 P19838 2/20 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
SCHEMBL7922958 1.00 CYP1B1 (0.57) CYP1B1TYRBCHEMAPTLMNA
SCHEMBL27631293 0.86 TYR (0.72) CYP1B1TYRBCHEMAPTLMNA
SCHEMBL27775762 0.86 TYR (0.72) CYP1B1TYRBCHEMAPTLMNA
SCHEMBL3048667 0.84 CTSL (0.49) CYP1B1TYRBCHEMAPTLMNA
SCHEMBL3048665 0.84 CTSL (0.49) CYP1B1TYRBCHEMAPTLMNA
SCHEMBL29843588 0.83 MAPT (0.58) CYP1B1TYRBCHEMAPTLMNA
SCHEMBL28383313 0.83 MAPT (0.58) CYP1B1TYRBCHEMAPTLMNA
SCHEMBL7101080 0.83 MAPT (0.58) CYP1B1TYRBCHEMAPTLMNA
SCHEMBL28383021 0.80 BCHE (0.71) CYP1B1BCHEMAPTLMNAMAOB
Ethyne SCHEMBL27085492 0.80 MAPT (0.55) CYP1B1TYRBCHEMAPTLMNA

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
US-6224788-B1 AROMATIC UNSATURATED KETONE POLYMERS JSR CORPORATION (JP) 2001-05-01 — — US disclosed
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