SCHEMBL11394205

SCHEMBL11394205

Clc1cccc(N2CCN(c3nc4cccccc-4n3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ SIGMAR1 Q99720 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ HTR1A P08908 2/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR7 P34969 2/20 0.53
▸ HTR6 P50406 2/20 0.53
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ ADRB1 P08588 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
SCHEMBL9646111 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNAMAPTALOX12
SCHEMBL11393334 0.83 MAPT (0.62) GAAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL11394247 0.82 CETP (0.62) GAAGFERALDH1A1LMNAMAPT
SCHEMBL6714846 0.81 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2LMNAMAPTALOX12
SCHEMBL11100857 0.81 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2LMNAMAPTALOX12
SCHEMBL6739807 0.80 AKR1C3 (0.63) GAAGFERALDH1A1SMN1; SMN2LMNA
SCHEMBL11403721 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTSIGMAR1
SCHEMBL1124210 0.76 AKR1C3 (0.58) GAAGFERALDH1A1SMN1; SMN2LMNA
SCHEMBL1124075 0.75 MAPT (0.56) GAAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL30407444 0.74 HTR3E (0.69) ALDH1A1SMN1; SMN2LMNAMAPTALOX12

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-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 — — US claimed
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