SCHEMBL7433322

SCHEMBL7433322

COC(=O)c1cccc(NC(=O)C(CS)Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 3/20 0.56
FOLH1 Q04609 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CASR P41180 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.50
MME P08473 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL7440850 0.90 MAPT (0.60) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL7434975 0.88 RAB9A (0.63) ALDH1A1HPGDRAB9AHSD17B10MEN1
SCHEMBL391430 0.88 FOLH1 (0.60) ALDH1A1HPGDRAB9AFOLH1HSD17B10
SCHEMBL7434454 0.86 FOLH1 (0.59) ALDH1A1HPGDRAB9AFOLH1HSD17B10
SCHEMBL7435298 0.86 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2HSD17B10MME
SCHEMBL7396819 0.85 PARP1 (0.52) ALDH1A1HPGDFOLH1HSD17B10MEN1
SCHEMBL9587139 0.85 RAB9A (0.48) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL7430630 0.85 RAB9A (0.48) ALDH1A1RAB9AFOLH1SMN1; SMN2CASR
SCHEMBL9724805 0.84 RAB9A (0.65) ALDH1A1RAB9AMEN1KMT2ALMNA
SCHEMBL7434449 0.84 MME (0.50) ALDH1A1HPGDHSD17B10MEN1KMT2A

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-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed