SCHEMBL9724783

SCHEMBL9724783

COc1ccc(NC(=O)C(CS)Cc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
POLB P06746 1/20 0.61
ACE P12821 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
FPR2 P25090 1/20 0.58
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MME P08473 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
SCHEMBL28119598 0.89 KMT2A (0.65) KMT2APOLBL3MBTL1FPR2ALDH1A1
SCHEMBL9724805 0.86 RAB9A (0.65) KMT2AALDH1A1RAB9A
SCHEMBL7271417 0.86 MME (0.65) KMT2AACEALDH1A1MAPTMME
SCHEMBL9724975 0.85 HPGD (0.54) KMT2AACEALDH1A1MAPTMME
SCHEMBL9724984 0.84 LMNA (0.61) POLBACEFPR2ALDH1A1MAPT
SCHEMBL9724811 0.83 MME (0.65) KMT2AACEALDH1A1MAPTMME
SCHEMBL7373900 0.83 CYP1A2 (0.56) KMT2AACEALDH1A1MAPTRAB9A
SCHEMBL390864 0.82 MME (0.57) KMT2AACEALDH1A1MAPTMME
SCHEMBL9724827 0.82 MEN1 (0.59) KMT2AACEALDH1A1MAPTMME
SCHEMBL9724992 0.82 MME (0.57) KMT2AACEALDH1A1MAPTMME

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
US-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US claimed
US-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed