SCHEMBL11835072

SCHEMBL11835072

O=C1c2ccccc2C(=O)N1CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ ACHE P22303 4/20 0.41

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
SCHEMBL11835056 0.86 MAPT (0.47) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL11841873 0.86 HSD17B10 (0.62) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL11832928 0.81 MAPT (0.57) MAPTKDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL11837552 0.80 MAPT (0.56) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL11842021 0.78 MAPT (0.57) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL11835084 0.78 MAPT (0.60) MAPTKDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL11837384 0.77 MAPT (0.56) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL11837550 0.76 MAPT (0.50) MAPTKDM4ELMNAMEN1KMT2A
Oxalic Acid SCHEMBL11840087 0.76 MAPT (0.63) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL11835478 0.75 MAPT (0.59) MAPTKDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US claimed
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US disclosed
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