SCHEMBL9587290

SCHEMBL9587290

O=C(O)COc1ccc(-c2c3nc(c(-c4ccccn4)c4ccc([nH]4)c(-c4ccccn4)c4nc(c(-c5ccccn5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TOP1 P11387 4/20 0.50
▸ CYCS P99999 4/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ METAP1 P53582 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
Acetoacetic Acid SCHEMBL9752522 0.93 MEN1 (0.50) MEN1KMT2ATOP1CYCSABCG2
SCHEMBL10730297 0.91 MEN1 (0.57) MEN1KMT2ATOP1CYCSABCG2
SCHEMBL3794157 0.89 TOP1 (0.61) MEN1KMT2ATOP1CYCSABCG2
SCHEMBL29558419 0.89 TOP1 (0.61) MEN1KMT2ATOP1CYCSABCG2
SCHEMBL25395411 0.82 TOP1 (0.51) TOP1CYCSENPP2TERTSMN1; SMN2
SCHEMBL2173908 0.82 TOP1 (0.51) TOP1CYCSENPP2TERTSMN1; SMN2
SCHEMBL14080379 0.82 TOP1 (0.51) TOP1CYCSENPP2TERTSMN1; SMN2
SCHEMBL14080609 0.82 TOP1 (0.51) TOP1CYCSENPP2TERTSMN1; SMN2
SCHEMBL10726864 0.81 ENPP2 (0.69) MEN1KMT2ATOP1CYCSABCG2
SCHEMBL18795854 0.79 TOP1 (0.52) TOP1CYCSABCG2ENPP2TERT

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-5268371-A Derivatives of porphyrin and metalloporphyrins optionally coupled to a biologically active molecule and pharmaceutical composition containing them CIS BIO INTERNATIONAL (FR) 1993-12-07 — — US disclosed
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