SCHEMBL24103475

SCHEMBL24103475

C=C(NCc1ccccn1)NCc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ HPGD P15428 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ TDP1 Q9NUW8 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
SCHEMBL14068359 0.85 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL9859901 0.84 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL18773855 0.82 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL424553 0.81 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL11135843 0.80 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL19319060 0.80 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL21065524 0.80 SMN1; SMN2 (0.79) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL18050209 0.80 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL18415475 0.80 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL30522589 0.80 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1POLBALDH1A1

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
WO-2021250182-A1 AN AQUEOUS BASIC ETCHING COMPOSITION FOR THE TREATMENT OF SURFACES OF METAL SUBSTRATES ATOTECH DEUTSCHLAND GMBH (DE) 2021-12-16 — — WO disclosed
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