SCHEMBL6169849

SCHEMBL6169849

CSc1nc(C)c(Cl)c(C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL28835178 0.83 KMT2A (0.54) MEN1KMT2AL3MBTL1HCAR2TDP1
SCHEMBL6169768 0.81 MEN1 (0.47) MEN1KMT2AHCAR2AHRSMN1; SMN2
SCHEMBL629435 0.78 MEN1 (0.45) MEN1KMT2AAHRSMN1; SMN2ALDH1A1
SCHEMBL30629324 0.76 HCAR2 (0.44) MEN1KMT2AL3MBTL1HCAR2TDP1
SCHEMBL21640952 0.74 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1AHRSMN1; SMN2
SCHEMBL3282837 0.74 PPARG (0.45) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL16963172 0.72 MEN1 (0.46) MEN1KMT2AHCAR2SMN1; SMN2ALDH1A1
SCHEMBL11166832 0.71 LMNA (0.39) MEN1KMT2AL3MBTL1AHRTSHR
SCHEMBL21887822 0.69 TDP1 (0.66) MEN1KMT2AL3MBTL1HCAR2TDP1
SCHEMBL14007696 0.69 RAB9A (0.36) MEN1KMT2AL3MBTL1AHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6914160-B1 Oxytocin inhibitors PFIZER INC (US) 2005-07-05 US disclosed
EP-1537085-A1 OXYTOCIN INHIBITORS Pfizer Limited (GB) 2005-06-08 EP disclosed
WO-2004020414-A1 OXYTOCIN INHIBITORS PFIZER LIMITED (GB) 2004-03-11 WO disclosed