SCHEMBL11646017

SCHEMBL11646017

Fc1cccc(NC(=S)NCc2ccncc2)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.74
GAA P10253 2/20 0.74
LMNA P02545 6/20 0.71
CA9 Q16790 1/20 0.69
ALDH1A1 P00352 7/20 0.64
MAPT P10636 6/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 1/20 0.64
RAB9A P51151 1/20 0.64
PKM P14618 1/20 0.64
MEN1 O00255 2/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
NAMPT P43490 1/20 0.60
KDM4E B2RXH2 1/20 0.58
LSS P48449 1/20 0.58

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
SCHEMBL11613865 0.83 NAMPT (0.82) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL16566466 0.83 LMNA (0.77) KMT2ALMNACA9ALDH1A1MAPT
SCHEMBL11642147 0.83 MAPT (0.79) KMT2AGAALMNACA9ALDH1A1
SCHEMBL11647675 0.82 ALDH1A1 (0.73) KMT2AGAALMNACA9ALDH1A1
SCHEMBL6297654 0.82 CA9 (1.00) KMT2AGAALMNACA9ALDH1A1
SCHEMBL11647965 0.80 POLB (0.79) KMT2AGAALMNACA9ALDH1A1
SCHEMBL29258807 0.79 NAMPT (0.80) KMT2AMEN1NAMPT
SCHEMBL14586801 0.78 LMNA (0.64) KMT2AGAALMNAALDH1A1MAPT
SCHEMBL11647735 0.78 ALDH1A1 (1.00) KMT2AGAALMNAALDH1A1MAPT
SCHEMBL11644262 0.78 ALDH1A1 (0.71) KMT2AGAALMNACA9ALDH1A1

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-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed