SCHEMBL7744728

SCHEMBL7744728

Cc1cc(-c2c(-c3ccccc3)n[nH]c2C(F)(F)F)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ GPR55 Q9Y2T6 2/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ABCC8 Q09428 1/20 0.42
▸ KCNJ11 Q14654 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ THRB P10828 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GYS1 P13807 1/20 0.42
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ AHR P35869 1/20 0.39
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL7745175 0.86 CYP1A2 (0.43) MAPTMEN1KMT2ACNR1CNR2
SCHEMBL7745186 0.85 CYP1A2 (0.42) MAPTMEN1KMT2ACNR1CNR2
SCHEMBL670646 0.72 CYP1A2 (0.62) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL951744 0.72 MAPT (0.65) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3499056 0.72 ACP1 (0.58) MAPTMEN1KMT2AALDH1A1THRB
SCHEMBL6859623 0.70 ALDH1A1 (0.63) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30946935 0.70 ALDH1A1 (0.63) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL17600557 0.70 ALDH1A1 (0.63) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27986152 0.70 ALDH1A1 (0.63) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30388558 0.70 ALDH1A1 (0.63) MAPTMEN1KMT2AL3MBTL1ALDH1A1

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
WO-2001002385-A1 1-(QUINOLIN-4-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2001-01-11 — — WO claimed
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