SCHEMBL10570473

SCHEMBL10570473

CN1CCCC1Oc1c(C(N)=O)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ PARP1 P09874 4/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDM2B Q8NHM5 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ F7 P08709 1/20 0.37

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
SCHEMBL10370276 0.81 CHRM4 (0.44) HPGDPARP1KDM2BMEN1ALDH1A1
SCHEMBL1383189 0.72 HPGD (0.60) HPGDDRD2DRD3KDM4EMEN1
SCHEMBL29941526 0.69 WDR5 (0.41) HPGDKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4463320 0.67 ALDH1A1 (0.55) HPGDKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4860337 0.67 GAA (0.50) KDM2BKDM4EALDH1A1PKM
Hydrochloric Acid SCHEMBL29225521 0.67 ELANE (0.41) HPGDPARP1MEN1KMT2A
SCHEMBL28242578 0.66 NPC1 (0.54) HPGDKDM4EALDH1A1KMT2A
N-Methylpiperidine SCHEMBL11353667 0.65 GAA (0.56) PARP1KDM4EALDH1A1
SCHEMBL28227905 0.65 PARP1 (0.55) PARP1
SCHEMBL8355294 0.65 GAA (0.51) PARP1KDM2BKDM4EMEN1ALDH1A1

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
US-4810795-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 — — US disclosed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 — — US disclosed
US-4642343-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 — — US disclosed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 — — US disclosed
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