SCHEMBL11836348

SCHEMBL11836348

CCN(CC)C(C)n1nc(-c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.65
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPT P10636 7/20 0.51
▸ LMNA P02545 2/20 0.51
▸ GPR35 Q9HC97 1/20 0.51
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAT2A P31153 2/20 0.37
▸ MDM4 O15151 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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 SCHEMBL11828807 0.99 KDM4E (0.64) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11834830 0.86 KDM4E (0.48) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11835472 0.86 KDM4E (0.62) KDM4EKMT2AMEN1TSHRMAPT
Hydrochloric Acid SCHEMBL11833164 0.85 KDM4E (0.47) KDM4EKMT2AMEN1TSHRMAPT
Hydrochloric Acid SCHEMBL11846087 0.85 KDM4E (0.61) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11837486 0.84 KMT2A (0.58) KDM4EKMT2AMEN1TSHRMAPT
Hydrochloric Acid SCHEMBL11835272 0.83 KMT2A (0.57) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11842018 0.81 KDM4E (0.69) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11832922 0.80 KDM4E (0.72) KDM4EKMT2AMEN1TSHRMAPT
Hydrochloric Acid SCHEMBL11837379 0.80 KDM4E (0.67) KDM4EKMT2AMEN1TSHRMAPT

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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