SCHEMBL9537656

SCHEMBL9537656

CCC(C)C(C)C(=O)N1Cc2cn[nH]c2-c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.42
▸ PSEN2 P49810 6/20 0.42
▸ APH1B Q8WW43 6/20 0.42
▸ NCSTN Q92542 6/20 0.42
▸ APH1A Q96BI3 6/20 0.42
▸ PSENEN Q9NZ42 6/20 0.42
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9537742 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9537917 0.81 ADORA3 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9538698 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10751151 0.80 HSD17B3 (0.34) ALDH1A1KDM4EHSD17B3
SCHEMBL9538409 0.78 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9537240 0.77 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9540853 0.73 NOTUM (0.41) MAPTALDH1A1KDM4EKMT2AHSD17B3
SCHEMBL9538041 0.73 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9536430 0.72 MAPT (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9539428 0.72 GABRA1 (0.33) ALDH1A1KDM4EMEN1KMT2AHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 — — EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 — — US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 — — US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 — — EP disclosed
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