SCHEMBL9538216

SCHEMBL9538216

Cn1ncc2c1-c1cc(Cl)ccc1N(S(C)(=O)=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.37
▸ PSEN2 P49810 3/20 0.37
▸ APH1B Q8WW43 3/20 0.37
▸ NCSTN Q92542 3/20 0.37
▸ APH1A Q96BI3 3/20 0.37
▸ PSENEN Q9NZ42 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTK2 Q05397 1/20 0.34
▸ AVPR1A P37288 1/20 0.34
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33

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
SCHEMBL9535516 0.79 PTK2 (0.34) PTK2GABRG2GABRB3GABRA5LMNA
SCHEMBL9540819 0.75 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9537279 0.75 ADORA3 (0.43) GABRG2GABRB3GABRA5HTR2AHTR2C
SCHEMBL9537919 0.75 AVPR1A (0.40) ALDH1A1RAB9AAVPR1AHTR2AHTR2C
SCHEMBL9535647 0.73 ADORA3 (0.45) GABRG2GABRB3GABRA5LMNAHTR2A
SCHEMBL9535510 0.72 BRD4 (0.37) GABRG2GABRB3GABRA5HTR2AHTR2C
SCHEMBL9540686 0.71 HTR2A (0.37) AVPR1AGABRG2GABRB3GABRA5HTR2A
SCHEMBL9537880 0.67 MAPT (0.51) ALDH1A1MAPT
SCHEMBL9537170 0.67 DRD4 (0.36) LMNAHTR2AHTR2CGABRA1GABRA2
SCHEMBL10368994 0.67 MMP12 (0.57) LMNAHTR2AHTR2CGAAMAPT

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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