SCHEMBL7338425

SCHEMBL7338425

COC(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TSHR P16473 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ SLC6A3 Q01959 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MLNR O43193 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL7336707 0.81 LMNA (0.54) HSD17B10KMT2ATSHRMAPTMEN1
SCHEMBL30941613 0.75 KDM4E (0.69) HSD17B10KMT2ATSHRMAPTMEN1
SCHEMBL1162463 0.75 KDM4E (0.69) HSD17B10KMT2ATSHRMAPTMEN1
SCHEMBL2698562 0.75 ALDH1A1 (0.63) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL28045440 0.74 ALOX15 (0.64) HSD17B10KMT2ATSHRMAPTMEN1
Hydrochloric Acid SCHEMBL31169322 0.74 KDM4E (0.67) HSD17B10KMT2ATSHRMAPTMEN1
SCHEMBL2700835 0.74 ALDH1A1 (0.65) HSD17B10KMT2AMAPTMEN1ALDH1A1
SCHEMBL10192623 0.73 KMT2A (0.68) HSD17B10KMT2ATSHRMAPTMEN1
Hydrazine SCHEMBL28289723 0.73 HSD17B10 (0.65) HSD17B10KMT2ATSHRMAPTMEN1
SCHEMBL13527518 0.71 HSD17B10 (0.62) HSD17B10KMT2ATSHRMAPTMEN1

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 — — EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 — — US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 — — EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 — — WO disclosed
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