SCHEMBL9123380

SCHEMBL9123380

Nc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 11/20 0.72
▸ ALDH1A1 P00352 10/20 0.72
▸ RAB9A P51151 7/20 0.72
▸ NPSR1 Q6W5P4 6/20 0.72
▸ SMN1; SMN2 Q16637 5/20 0.72
▸ MITF O75030 4/20 0.72
▸ PKM P14618 1/20 0.72
▸ MAPT P10636 7/20 0.66
▸ LMNA P02545 4/20 0.66
▸ RECQL P46063 2/20 0.66
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ POLB P06746 5/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ BLM P54132 1/20 0.59
▸ GPR35 Q9HC97 1/20 0.59
▸ NPBWR1 P48145 6/20 0.50
▸ NPC1 O15118 5/20 0.48

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
SCHEMBL19000706 0.87 HTT (0.77) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL1691901 0.83 HTT (0.71) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL19000710 0.81 HTT (0.68) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL2551062 0.80 NPBWR1 (0.77) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL8486888 0.79 ALDH1A1 (0.65) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL19011761 0.78 HTT (0.71) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL19000702 0.77 RAB9A (0.76) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL9736936 0.76 HTT (0.64) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL9122462 0.76 ALDH1A1 (0.64) HTTALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL19000708 0.75 HTT (0.60) HTTALDH1A1RAB9ANPSR1SMN1; SMN2

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-5395934-A Antiarrhythmia agents and cardiovascular disorders EGIS GYOGYSZERGYAR (HU) 1995-03-07 — — US disclosed
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