SCHEMBL10399635

SCHEMBL10399635

Cc1ccc(C2=CC(N)=NN(N)N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.35
▸ MAPT P10636 6/20 0.33
▸ NPC1 O15118 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ LMNA P02545 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9433016 0.58 ACHE (0.47) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL29071714 0.57 SMN1; SMN2 (0.37) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL9613271 0.57 LMNA (0.52) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL197731 0.56 ACHE (0.73) CYP2C19CYP2C9LMNAALDH1A1HPGD
SCHEMBL18661495 0.56 ACHE (0.73) CYP2C19CYP2C9LMNAALDH1A1HPGD
SCHEMBL3287696 0.56 ACHE (0.73) CYP2C19CYP2C9LMNAALDH1A1HPGD
SCHEMBL874376 0.56 ACHE (0.81) SMN1; SMN2MAPTNPC1RAB9AMEN1
Benzidine SCHEMBL11211665 0.56 ACHE (0.81) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL2608098 0.56 ACHE (0.81) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL12264964 0.55 MEN1 (0.55) SMN1; SMN2MAPTNPC1RAB9AMEN1

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-4931487-A Chain extenders for polyurethanes DOW CHEMICAL COMPANY 1990-06-05 — — US disclosed
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