SCHEMBL27369841

SCHEMBL27369841

CC1=NN(c2ccc(Cl)cc2)C(C=O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TERT O14746 1/20 0.39
▸ PRKCZ Q05513 7/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDE5A O76074 2/20 0.38
▸ POLB P06746 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL28436430 0.87 MAPT (0.40) ALDH1A1MAPTHTTTDP1TERT
SCHEMBL28433432 0.84 MAPT (0.38) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL28523211 0.84 KMT2A (0.47) ALDH1A1MAPTKMT2AMEN1TERT
SCHEMBL29018666 0.82 NR3C2 (0.41) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL13423067 0.76 ALDH1A1 (0.41) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL13423460 0.75 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL28776773 0.72 TERT (0.32) ALDH1A1MAPTHTTTERTSMN1; SMN2
SCHEMBL10594147 0.70 MEN1 (0.41) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL28897005 0.70 HSD17B10 (0.41) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL16740590 0.70 PRKCZ (0.69) LMNAPRKCZPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128435-A Pyrazolone compounds as metabotropic glutamate receptor agonists for the treatment of neurological and psychiatric disorders ASTRAZENECA AB (SE) 2008-02-20 — — CN disclosed
CN-1066138-C 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 2001-05-23 — — CN disclosed
CN-1141291-A 4-(Arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 1997-01-29 — — CN disclosed
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