SCHEMBL8207225

SCHEMBL8207225

CCc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(N)s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.60
PKM P14618 2/20 0.60
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.55
MMP13 P45452 1/20 0.55
TP53 P04637 1/20 0.54
CRHBP P24387 1/20 0.54
RECQL P46063 1/20 0.54
CRHR2 Q13324 1/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL8212886 0.91 HPGD (0.58) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL8200310 0.89 HPGD (0.56) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL8209522 0.87 TDP1 (0.60) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL8211804 0.85 LMNA (0.66) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL8199868 0.84 MEN1 (0.56) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL7888362 0.82 SMN1; SMN2 (0.61) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL20828646 0.80 HPGD (0.73) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL8199058 0.80 THRB (0.52) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL8207751 0.79 TDP1 (0.56) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL8206773 0.79 CYP3A4 (0.53) HPGDMEN1KMT2AALDH1A1POLB

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
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed