SCHEMBL11627626

SCHEMBL11627626

Cc1cnn(C(C)C(=O)N(C)C)c1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
GRIN2B Q13224 3/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER1 P34995 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ALOX5 P09917 1/20 0.33
ITGB1 P05556 1/20 0.33

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
SCHEMBL11623336 0.87 UBE2M (0.39) UBE2MDCUN1D1KDM4EALDH1A1HPGD
SCHEMBL11626570 0.79 CCNC (0.39) ALDH1A1HPGDGRIN2BKMT2ANPC1
SCHEMBL10414082 0.77 PIM1 (0.41) UBE2MDCUN1D1KDM4EALDH1A1HPGD
SCHEMBL11622749 0.73 TSHR (0.39) UBE2MDCUN1D1KDM4EALDH1A1HPGD
SCHEMBL11839250 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11623668 0.73 AKR1C3 (0.39) KDM4EALDH1A1HPGDTSHRNPC1
SCHEMBL11620819 0.69 CCNC (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11622972 0.69 L3MBTL1 (0.47) UBE2MDCUN1D1KDM4EALDH1A1HPGD
SCHEMBL11624997 0.68 CCNC (0.38) KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL11624730 0.68 CCNC (0.38) GRIN2BKMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113956-A THIENYL PYRAZOLE AMIDES THE UPJOHN COMPANY (US) 1978-09-12 US claimed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 US disclosed