SCHEMBL11835616

SCHEMBL11835616

O=C(CC(Cl)Cc1ccc(-c2ccccc2)cc1)NC1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ SMYD3 Q9H7B4 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HPGD P15428 2/20 0.46
▸ MME P08473 4/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ACE P12821 3/20 0.45
▸ CPA1 P15085 3/20 0.45
▸ ACE2 Q9BYF1 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ USP30 Q70CQ3 2/20 0.44
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL11827807 0.79 KMT2A (0.52) MEN1KMT2AALDH1A1SMYD3SMN1; SMN2
SCHEMBL11833051 0.78 ABCC4 (0.58) LMNACPA1HTT
SCHEMBL11822184 0.75 SRR (0.51) MMELMNAACECPA1ACE2
SCHEMBL11837761 0.74 SRR (0.48) MMELMNAACECPA1ACE2
SCHEMBL11828261 0.73 SMYD3 (0.55) MEN1KMT2AALDH1A1SMYD3SMN1; SMN2
SCHEMBL11825811 0.73 MEN1 (0.51) MEN1KMT2AALDH1A1SMYD3SMN1; SMN2
SCHEMBL11827810 0.72 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL11828914 0.71 ALDH1A1 (0.47) ALDH1A1MMELMNAACECPA1
SCHEMBL11830947 0.70 NAAA (0.58) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL20474616 0.70 ALDH1A1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2MME

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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