SCHEMBL13186474

SCHEMBL13186474

COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ LMNA P02545 5/20 0.57
▸ GPR55 Q9Y2T6 1/20 0.57
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ HTT P42858 1/20 0.53
▸ PKM P14618 1/20 0.52
▸ PRNP P04156 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52

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
SCHEMBL13186469 0.87 CYP1A2 (0.64) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL13186458 0.84 CYP1A2 (0.73) MAPTMEN1KMT2ALMNAGPR55
SCHEMBL12010901 0.83 NPC1 (0.66) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL13186804 0.78 MEN1 (0.85) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL15726678 0.78 NPC1 (0.56) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL16430359 0.78 MEN1 (0.64) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL13186809 0.76 MEN1 (0.72) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL11598524 0.75 MAPT (0.73) MAPTMEN1KMT2ALMNAGPR55
SCHEMBL5331526 0.75 MMP13 (0.74) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL11172199 0.75 POLB (0.77) MAPTMEN1KMT2AGPR55ALDH1A1

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-20100248371-A1 METHODS AND COMPOSITIONS FOR MODULATING RAD51 AND HOMOLOGOUS RECOMBINATION UNIVERSITY OF CHICAGO (US) 2010-09-30 — — US disclosed
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