SCHEMBL8632499

SCHEMBL8632499

CC[C@H](C)[C@@H](CN(Cc1cccc(Cl)c1Cl)C(=S)Nc1cccc(C(F)(F)F)c1)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
PSMB5 P28074 3/20 0.39
PSMB1 P20618 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
PGGT1B P53609 2/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8632494 1.00 MEN1 (0.41) MEN1KMT2ALMNAMAPTPSMB5
SCHEMBL8488756 0.92 MMP1 (0.42) MEN1KMT2ALMNAMAPTPSMB5
SCHEMBL8502085 0.92 FNTA (0.36) MEN1KMT2ALMNAMAPTPSMB5
SCHEMBL8497542 0.91 MEN1 (0.41) MEN1KMT2ALMNAMAPTPSMB5
SCHEMBL8497546 0.91 MEN1 (0.41) MEN1KMT2ALMNAMAPTPSMB5
SCHEMBL8502192 0.90 FNTA (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL8498192 0.89 FNTA (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL8493907 0.89 MEN1 (0.41) MEN1KMT2ALMNAMAPTPSMB5
SCHEMBL8493902 0.89 MEN1 (0.41) MEN1KMT2ALMNAMAPTPSMB5
SCHEMBL8492986 0.88 FNTA (0.39) MEN1KMT2ALMNAMAPTSMN1; SMN2

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
WO-1999012912-A1 THIOUREA DERIVATIVES OR NON-TOXIC SALTS THEREOF FOR INHIBITNG RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 1999-03-18 WO disclosed