Methane

Methane

SCHEMBL11684145

C.Nc1cc(Cl)c(S(=O)(=O)Nc2cccc(S(=O)(=O)O)c2)cc1Cl

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
CCNA1 P78396 1/20 0.48
CDK6 Q00534 1/20 0.48
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
PGR P06401 2/20 0.43
HTR6 P50406 1/20 0.43
PFKFB3 Q16875 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL10691537 0.99 MEN1 (0.53) MEN1KMT2ACDK1CCNB1CCNA2
Methane SCHEMBL11685427 0.85 MAPT (0.50) MEN1KMT2ACA1CA2PGR
Methane SCHEMBL11683447 0.85 MEN1 (0.59) MEN1KMT2ACDK1CCNB1CCNA2
SCHEMBL10694559 0.84 MAPT (0.51) MEN1KMT2ACA1CA2PGR
SCHEMBL11683441 0.81 MEN1 (0.51) MEN1KMT2ACDK1CCNB1CCNA2
SCHEMBL9115534 0.81 PGR (0.58) MEN1KMT2ACDK1CCNB1CCNA2
SCHEMBL11689359 0.80 LMNA (0.57) MEN1KMT2ACDK1CCNB1CCNA2
SCHEMBL11682324 0.79 MCL1 (0.48) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL11685839 0.79 MCL1 (0.49) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL11683195 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HSD17B2LMNA

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-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 US disclosed