SCHEMBL8947262

SCHEMBL8947262

COC(=O)CNC(=O)c1ccc(CBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 3/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 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
SCHEMBL8947242 0.88 KMT2A (0.67) KMT2AMEN1SMN1; SMN2KDM4ETSHR
SCHEMBL19859082 0.86 RAB9A (0.63) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8947346 0.85 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2KDM4ETSHR
SCHEMBL19948182 0.84 PRSS1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL19859085 0.81 RAB9A (0.58) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL24224262 0.81 KMT2A (0.59) KMT2AMEN1SMN1; SMN2KDM4ETSHR
SCHEMBL13330080 0.81 KDM4E (0.62) KMT2AMEN1SMN1; SMN2KDM4ETSHR
SCHEMBL834861 0.81 KMT2A (0.59) KMT2AMEN1SMN1; SMN2KDM4ETSHR
SCHEMBL8283407 0.81 TDP1 (0.71) KMT2AMEN1SMN1; SMN2KDM4ETSHR
SCHEMBL30838576 0.81 KDM4E (0.62) KMT2AMEN1SMN1; SMN2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed