SCHEMBL3467900

SCHEMBL3467900

O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAPT P10636 6/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ LMNA P02545 3/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ ABL1 P00519 1/20 0.45

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
SCHEMBL3466713 0.85 MEN1 (0.62) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL11873110 0.76 TAS1R3 (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL5471126 0.74 RAB9A (0.65) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL20548599 0.74 MEN1 (0.55) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3467505 0.72 KMT2A (0.51) SMN1; SMN2RAB9ANPC1MAPTMCL1
SCHEMBL3729161 0.71 KMT2A (0.47) ALDH1A1SMN1; SMN2MAPTPOLBMEN1
SCHEMBL3467090 0.71 MEN1 (0.68) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL5441846 0.70 KMT2A (0.71) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL5445021 0.70 KMT2A (0.60) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL3731624 0.69 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2RAB9AMAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 — — WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 — — WO disclosed
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