SCHEMBL11830375

SCHEMBL11830375

CCC(N1CCOCC1)n1nc(-c2ccccc2)c2cc(C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ AR P10275 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ THRB P10828 1/20 0.35

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 SCHEMBL11837862 0.99 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL11830991 0.89 KDM4E (0.47) KDM4EALDH1A1LMNATSHRMAPT
SCHEMBL11837546 0.88 KDM4E (0.61) KDM4EALDH1A1LMNATSHRMAPT
Hydrochloric Acid SCHEMBL11834681 0.88 KDM4E (0.47) KDM4EALDH1A1LMNATSHRMAPT
SCHEMBL11835048 0.77 KDM4E (0.49) KDM4EALDH1A1LMNATSHRMAPT
SCHEMBL11845302 0.77 KDM4E (0.53) KDM4EALDH1A1LMNATSHRMAPT
SCHEMBL11846471 0.76 KMT2A (0.50) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL11834385 0.75 KMT2A (0.49) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL11838053 0.75 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL11835514 0.74 KDM4E (0.50) KDM4EALDH1A1LMNATSHRMAPT

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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