SCHEMBL11836353

SCHEMBL11836353

CCN(CC)CCn1nc(-c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 6/20 0.53
▸ RAD52 P43351 2/20 0.44
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ UHRF1 Q96T88 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 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
Hydrochloric Acid SCHEMBL11828812 0.99 MAPT (0.56) MAPTKDM4ERAD52KMT2AMEN1
SCHEMBL11835478 0.88 MAPT (0.59) MAPTKDM4EKMT2AMEN1TSHR
SCHEMBL11834839 0.86 POLB (0.43) MAPTKDM4ERAD52KMT2AMEN1
Hydrochloric Acid SCHEMBL11846094 0.86 MAPT (0.58) MAPTKDM4EKMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL11833169 0.85 PKM (0.42) MAPTKDM4ERAD52KMT2AMEN1
SCHEMBL11837490 0.84 HSD17B10 (0.56) KDM4ERAD52KMT2ATSHRPOLB
Hydrochloric Acid SCHEMBL11835277 0.83 HSD17B10 (0.54) KDM4ERAD52KMT2ATSHRPOLB
SCHEMBL11842021 0.83 MAPT (0.57) MAPTKDM4EKMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL11837384 0.82 MAPT (0.56) MAPTKDM4EKMT2AMEN1TSHR
SCHEMBL11835521 0.80 HSD17B10 (0.45) MAPTKDM4EKMT2AMEN1TSHR

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