SCHEMBL4948558

SCHEMBL4948558

CSc1ccc(N)c(NCCNC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
POLB P06746 2/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 6/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGER4 P35408 1/20 0.36
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 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
SCHEMBL891296 0.81 BRD4 (0.45) NQO2HTT
SCHEMBL17928523 0.81 HDAC1 (0.40) HSD17B10KMT2AALDH1A1HPGDPOLB
SCHEMBL2146201 0.79 KDM4E (0.45) ALDH1A1POLBMAPTNPC1PTGER4
SCHEMBL2963771 0.78 HTR7 (0.36) HSD17B10ALDH1A1TSHR
SCHEMBL2973683 0.74 HDAC3 (0.47) HSD17B10KMT2AALDH1A1HPGDMAPT
SCHEMBL13497807 0.74 LMNA (0.47) HSD17B10KMT2AALDH1A1HPGDPOLB
SCHEMBL18342361 0.73 HIF1A (0.43)
SCHEMBL2145634 0.70 APEX1 (0.47) ALDH1A1HPGDMAPTPTGER4HTT
SCHEMBL906460 0.69 HDAC1 (0.50) ALDH1A1POLBMAPTNQO2MTNR1A
SCHEMBL29126176 0.68 L3MBTL1 (0.47) HSD17B10KMT2AALDH1A1HPGDPOLB

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
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 EP disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO disclosed