SCHEMBL9806400

SCHEMBL9806400

O=C1C(=Cc2ccccc2Cl)C(=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK2 Q92630 1/20 0.53
▸ ALDH1A1 P00352 9/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ HTT P42858 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MAPT P10636 10/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ PTPRC P08575 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ DNMT3L Q9UJW3 1/20 0.46

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
SCHEMBL28561588 0.81 ALDH1A1 (0.54) DYRK2ALDH1A1HTTMAPTNPSR1
SCHEMBL30395714 0.76 KDM4E (0.58) ALDH1A1KMT2AHTTHPGDMAPT
SCHEMBL11266284 0.76 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL28401896 0.76 HSD11B1 (0.56) DYRK2ALDH1A1KMT2AHTTHPGD
SCHEMBL12127310 0.76 KDM4E (0.58) ALDH1A1KMT2AHTTHPGDMAPT
SCHEMBL14464102 0.76 NPC1 (0.60) DYRK2ALDH1A1KMT2AHTTHPGD
SCHEMBL5481833 0.75 NPC1 (0.68) NPC1LCK
SCHEMBL5481832 0.75 NPC1 (0.68) NPC1LCK
SCHEMBL11268807 0.74 XDH (0.62) ALDH1A1HTTMAPTSMN1; SMN2PTPRC
SCHEMBL30380596 0.73 SIRT2 (0.57) ALDH1A1KMT2AHTTHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299727-B1 THERAPEUTIC AGENTS Pfizer Limited (GB) 1991-11-13 — — EP disclosed
US-4992447-A Asthma PFIZER INC. (US) 1991-02-12 — — US disclosed
US-4853392-A Fused 1,4-dihydropyridines as antiallergy and antiinflammatory agents PFIZER INC. (US) 1989-08-01 — — US disclosed
EP-0299727-A1 Therapeutic agents Pfizer Limited (GB) 1989-01-18 — — EP disclosed
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