SCHEMBL11113150

SCHEMBL11113150

N=C(N)c1ccc(-c2ccc(N)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.61
▸ HSD17B1 P14061 2/20 0.50
▸ HSD17B2 P37059 2/20 0.50
▸ NQO2 P16083 2/20 0.50
▸ IKBKB O14920 1/20 0.49
▸ PLAU P00749 4/20 0.45
▸ MASP2 O00187 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ F2 P00734 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ESR1 P03372 1/20 0.40

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
Hydrochloric Acid SCHEMBL11108769 0.96 APP (0.57) APPHSD17B1HSD17B2NQO2IKBKB
SCHEMBL23566334 0.81 NQO2 (0.71) APPNQO2IKBKBPLAUMASP2
SCHEMBL4711536 0.78 RAB9A (0.70) APPHSD17B1HSD17B2IKBKBKDM4E
SCHEMBL23566269 0.78 PLAU (0.50) NQO2IKBKBPLAUF2KDM4E
SCHEMBL6751854 0.78 APP (1.00) APPHSD17B1HSD17B2NQO2ALDH1A1
SCHEMBL11106853 0.75 APP (0.66) APPNQO2IKBKBPLAUPRSS1
SCHEMBL31237738 0.75 APP (0.65) APPHSD17B1HSD17B2NQO2IKBKB
SCHEMBL23566322 0.73 NQO2 (0.59) NQO2ALDH1A1
SCHEMBL7259715 0.73 APP (0.53) APPHSD17B1HSD17B2IKBKBKDM4E
SCHEMBL5307850 0.72 NQO2 (0.85) APPNQO2PLAUMASP2THPO

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-4424367-A 5-(4-Aminophenyl)-2-thiophenecarboximidamide hydrochloride hemihydrate NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-01-03 — — US claimed
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