SCHEMBL9828879

SCHEMBL9828879

CCCCCCCc1c(C)nc(SC)[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 4/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
XBP1 P17861 1/20 0.49
HSD17B10 Q99714 1/20 0.49
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
TYMP P19971 2/20 0.46

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
SCHEMBL9797058 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2AATM
SCHEMBL31087177 0.94 ALDH1A1 (0.65) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL8515731 0.89 KDM4E (0.60) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL10857521 0.82 KDM4E (0.63) ALDH1A1KDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL9797052 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2KMT2AATM
SCHEMBL5108684 0.81 KDM4E (0.58) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL30064990 0.78 KMT2A (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2AATM
SCHEMBL22587273 0.77 CYP2C9 (0.58) ALDH1A1KDM4EATMCYP2C9CYP2C19
SCHEMBL22587316 0.76 KDM4E (0.57) ALDH1A1KDM4EKMT2ACYP2C9CYP2C19
SCHEMBL10870720 0.74 HTT (0.44) ALDH1A1KDM4EKMT2AATMCYP2C9

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
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP disclosed