SCHEMBL7444667

SCHEMBL7444667

O=C(CCSc1ccccc1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ HTT P42858 1/20 0.62
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ APOBEC3G Q9HC16 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
SCHEMBL7443348 0.84 KMT2A (0.70) SMN1; SMN2MEN1KMT2AMAPTRECQL
SCHEMBL23857902 0.81 RAB9A (0.57) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL5145754 0.78 KMT2A (0.62) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL28745974 0.78 GAA (0.79) SMN1; SMN2HTTKMT2AMAPTRAB9A
SCHEMBL11221078 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL23857904 0.78 FNTA (0.67) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL28069955 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL18922444 0.78 MEN1 (0.60) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL8914692 0.77 SMN1; SMN2 (0.61) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL18922446 0.77 HDAC1 (0.72) SMN1; SMN2HTTMEN1KMT2AMAPT

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
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 — — EP claimed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 — — WO claimed
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 — — EP disclosed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 — — WO disclosed
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