SCHEMBL29611630

SCHEMBL29611630

NC(=S)Nc1ccc(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.49
EPHX2 P34913 6/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 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
SCHEMBL142976 1.00 LMNA (0.50) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL10712606 0.83 ALDH1A1 (0.63) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL34472041 0.82 L3MBTL1 (0.47) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL29838495 0.82 L3MBTL1 (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL5464387 0.82 L3MBTL1 (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL30521352 0.80 L3MBTL1 (0.53) LMNAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28130105 0.80 LMNA (0.55) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL17856110 0.80 L3MBTL1 (0.53) LMNAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL15215634 0.79 ALDH1A1 (0.47) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL20560664 0.79 EPHX2 (0.51) LMNAKMT2AEPHX2ALDH1A1KDM4E

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
CN-112805281-B KRAS G12C inhibitors 伊莱利利公司 2022-05-10 CN disclosed