SCHEMBL28030909

SCHEMBL28030909

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MME P08473 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28030908 0.90 CPA1 (0.46) MAPTMEN1KMT2ANPC1POLB
SCHEMBL28030312 0.90 ALPL (0.51) MAPTMMECA12ALPLTP53
SCHEMBL28030313 0.86 MME (0.52) MAPTMMECA12ALPLTP53
SCHEMBL28030907 0.83 NR1H4 (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27963156 0.80 MAPT (0.53) MAPTMEN1KMT2ANPC1POLB
SCHEMBL10436410 0.75 CPA1 (0.57) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL28030339 0.73 NR1H4 (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9976033 0.72 MAPT (1.00) MAPTMEN1KMT2ANPC1POLB
SCHEMBL9048488 0.72 MAPT (1.00) MAPTMEN1KMT2ANPC1POLB
SCHEMBL29110788 0.71 MAPT (0.51) MAPTMEN1KMT2ANPC1POLB

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-103787976-B 1-aryl-3-aryl-1H-pyrazoles-5-first hydroximic acid derivative and application thereof SHANDONG UNIVERSITY (CN) 2015-10-28 — — CN disclosed
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