SCHEMBL11448046

SCHEMBL11448046

CC(=NO)C(=O)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.63
▸ NAPRT Q6XQN6 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MAPT P10636 4/20 0.54
▸ GAA P10253 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ EPHX1 P07099 2/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ KDM1A O60341 1/20 0.50

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
SCHEMBL11224816 0.81 NAPRT (0.53) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL6319231 0.81 GFER (0.69) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL6320681 0.81 GFER (0.69) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL21572872 0.81 GFER (0.69) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL20525869 0.79 NAPRT (0.52) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL14667494 0.79 NAPRT (0.52) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL5170779 0.79 NAPRT (0.67) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL3415038 0.79 NAPRT (0.67) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL29354342 0.78 GFER (0.68) GFERNAPRTHSD17B10MAPTGAA
SCHEMBL57554 0.78 SMN1; SMN2 (0.70) NAPRTHSD17B10MAPTKMT2AMEN1

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
EP-0026894-A1 Process for the preparation of erythro-alpha-2-piperidyl-2,8-bis (trifluoromethyl)-4-quinoline methanol BASF Aktiengesellschaft (DE) 1981-04-15 — — EP disclosed
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