SCHEMBL10950764

SCHEMBL10950764

O=C(c1ccc(Cl)cc1)c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)on1.O=C(c1ccc(F)cc1)c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ ATM Q13315 3/20 0.55
▸ HRH1 P35367 4/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ DRD3 P35462 4/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ DRD4 P21917 3/20 0.48
▸ HTT P42858 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ KCNH2 Q12809 3/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ USP2 O75604 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45

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
SCHEMBL10926212 0.95 MEN1 (0.47) MEN1KMT2AATMHRH1ALOX5
SCHEMBL10926835 0.95 HRH1 (0.53) MEN1KMT2AATMHRH1ALOX5
SCHEMBL10922803 0.95 MEN1 (0.57) MEN1KMT2AATMDRD3DRD2
SCHEMBL10923780 0.91 MEN1 (0.55) MEN1KMT2AATMHRH1DRD3
SCHEMBL10926867 0.90 MEN1 (0.49) MEN1KMT2AATMHRH1ALOX5
SCHEMBL10925373 0.88 MEN1 (0.55) MEN1KMT2AATMHRH1ALOX5
SCHEMBL10927224 0.83 ACHE (0.46) MEN1KMT2AATMHRH1DRD3
SCHEMBL10926532 0.83 SMN1; SMN2 (0.55) MEN1KMT2AATMDRD3DRD2
SCHEMBL10927393 0.80 LMNA (0.43) LMNAALDH1A1SMN1; SMN2
SCHEMBL10928252 0.80 TP53 (0.50) ATMDRD3DRD2DRD4LMNA

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-4562187-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY, AGENTS, AND ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US disclosed
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