SCHEMBL9518580

SCHEMBL9518580

CN(C)CCCc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ AGTR1 P30556 3/20 0.58
▸ AGTR2 P50052 3/20 0.58
▸ MAPT P10636 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ TNF P01375 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ PKM P14618 1/20 0.53

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
SCHEMBL9518750 0.92 HDAC1 (0.69) MEN1KMT2ALMNAALDH1A1HDAC1
SCHEMBL9518397 0.90 RAB9A (0.67) ALDH1A1HDAC1HDAC6AGTR1AGTR2
SCHEMBL229324 0.84 MEN1 (0.78) MEN1KMT2ALMNAALDH1A1AGTR1
SCHEMBL28487275 0.83 AGTR1 (0.76) MEN1KMT2ALMNAALDH1A1AGTR1
SCHEMBL29411886 0.83 AGTR1 (0.76) MEN1KMT2ALMNAALDH1A1AGTR1
SCHEMBL15569105 0.83 MEN1 (0.72) MEN1KMT2ALMNAALDH1A1AGTR1
SCHEMBL4952279 0.82 AGTR1 (0.78) MEN1KMT2ALMNAALDH1A1AGTR1
SCHEMBL9740603 0.82 ALDH1A1 (0.66) MEN1KMT2ALMNAALDH1A1AGTR1
SCHEMBL7545514 0.81 AGTR1 (0.76) MEN1KMT2ALMNAALDH1A1AGTR1
SCHEMBL7545509 0.81 AGTR1 (0.76) MEN1KMT2ALMNAALDH1A1AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 — — EP claimed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 — — US claimed
EP-0350467-A1 Pharmacologically active benzimidazole derivatives DOMPE' FARMACEUTICI S.p.A. (IT) 1990-01-10 — — EP claimed
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 — — EP disclosed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 — — US disclosed
EP-0350467-A1 Pharmacologically active benzimidazole derivatives DOMPE' FARMACEUTICI S.p.A. (IT) 1990-01-10 — — EP disclosed
Send feedback