SCHEMBL9258888

SCHEMBL9258888

Cc1ccc(C(O)CCCCCn2ccnc2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ ADRA2C P18825 1/20 0.54
▸ TSHR P16473 2/20 0.51
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TBXAS1 P24557 7/20 0.48

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
SCHEMBL9266828 0.85 ADRA2C (0.51) MEN1KMT2ATP53MAPK1HTT
SCHEMBL11636080 0.83 KMT2A (0.53) MEN1KMT2ATP53MAPK1HTT
SCHEMBL10927284 0.83 ADRA2C (0.74) MEN1KMT2ATP53MAPK1HTT
SCHEMBL10925864 0.79 ADRA2C (0.76) MEN1KMT2AADRA2CTSHRCYP1A2
SCHEMBL11635115 0.79 POLB (0.50) MEN1KMT2ATP53MAPK1HTT
SCHEMBL17482336 0.78 MEN1 (0.64) MEN1KMT2ATP53MAPK1HTT
SCHEMBL17482334 0.76 MAPK1 (0.97) MEN1KMT2ATP53MAPK1HTT
SCHEMBL11449551 0.76 ADRA2C (0.56) MEN1KMT2ATP53ADRA2CTSHR
SCHEMBL11635829 0.75 ALDH1A1 (0.56) TP53TBXAS1
SCHEMBL11666655 0.75 ALDH1A1 (0.56) TP53TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 — — EP claimed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 — — US disclosed
US-5272167-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-12-21 — — US disclosed
EP-0560407-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-09-15 — — EP disclosed
WO-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 — — WO disclosed
EP-0407217-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1991-01-09 — — EP disclosed
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 — — US disclosed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 — — EP disclosed
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