SCHEMBL7369984

SCHEMBL7369984

COc1cccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B2 P37059 5/20 0.57
HSD17B1 P14061 4/20 0.57
POLB P06746 2/20 0.55
TSHR P16473 5/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
PLAU P00749 1/20 0.47

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
SCHEMBL7367644 0.89 GAA (0.64) GAAKDM4EPOLBNPC1SMN1; SMN2
SCHEMBL7368408 0.89 HSD17B1 (0.58) GAAHSD17B2HSD17B1POLBNPC1
SCHEMBL7371083 0.86 HTT (0.56) GAAPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL7376298 0.86 L3MBTL1 (0.48) GAAHSD17B2HSD17B1POLBNPC1
SCHEMBL7378335 0.85 CHRNB2 (0.52) GAAPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL7377757 0.81 MAPT (0.52) GAAKDM4EPOLBNPC1SMN1; SMN2
SCHEMBL7517678 0.81 NPC1 (0.47) GAAPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL7375535 0.80 L3MBTL1 (0.50) GAAPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL7374859 0.80 NAMPT (0.52) GAAKDM4EPOLBNPC1RAB9A
SCHEMBL7379111 0.79 POLB (0.52) GAAPOLBNPC1SMN1; SMN2RAB9A

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed