SCHEMBL6031932

SCHEMBL6031932

N#CC1=CC=C(c2cnc(Cc3cccc(C(=O)O)c3)nc2)C=CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.39
▸ MRGPRX4 Q96LA9 11/20 0.38
▸ FOLH1 Q04609 1/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ACMSD Q8TDX5 2/20 0.35
▸ NR4A2 P43354 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2712751 0.77 MRGPRX4 (0.49) ADORA1MRGPRX4MEP1BCA1CA2
SCHEMBL13555496 0.74 MRGPRX4 (0.55) MRGPRX4FOLH1MEP1BCA1CA2
SCHEMBL2712374 0.72 PARP1 (0.47) ADORA1MRGPRX4MEP1BCA1CA2
SCHEMBL28995748 0.71 FOLH1 (0.51) MRGPRX4FOLH1CA1CA2CA9
SCHEMBL2711241 0.70 MRGPRX4 (0.54) MRGPRX4FOLH1MEP1BCA1CA2
SCHEMBL6031976 0.67 PARP1 (0.51) ADORA1
SCHEMBL2713727 0.66 MRGPRX4 (0.49) ADORA1MRGPRX4FOLH1CA1CA2
SCHEMBL3226195 0.65 NR4A2 (0.54) NR4A2
SCHEMBL70351 0.65 FOLH1 (0.70) FOLH1MEP1BCA1CA2CA9
SCHEMBL30791058 0.65 FOLH1 (0.70) FOLH1MEP1BCA1CA2CA9

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-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO disclosed
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