SCHEMBL10832956

SCHEMBL10832956

O=C(NCCCn1ccnc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ CYP1A2 P05177 1/20 0.76
▸ CYP3A4 P08684 1/20 0.76
▸ CYP2D6 P10635 1/20 0.76
▸ CYP2C9 P11712 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ L3MBTL1 Q9Y468 3/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ MAPT P10636 2/20 0.69
▸ LMNA P02545 1/20 0.69
▸ QPCT Q16769 2/20 0.67
▸ MAOB P27338 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ USP2 O75604 1/20 0.53
▸ ALOX12 P18054 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
SCHEMBL10832667 0.86 CYP1A2 (1.00) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL10831942 0.86 ALDH1A1 (1.00) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL10833298 0.83 CYP1A2 (0.93) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL1775043 0.83 CYP1A2 (0.79) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL10832177 0.82 CYP1A2 (0.91) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL10832419 0.81 CYP1A2 (0.77) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL10831990 0.81 CYP1A2 (0.77) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL10833094 0.81 CYP1A2 (0.77) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL10833053 0.81 LMNA (0.76) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL76307 0.81 QPCT (1.00) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6

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-4576957-A HYPOTENSIVE AMERICAN CYANAMID COMPANY (US) 1986-03-18 — — US claimed
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