SCHEMBL7374290

SCHEMBL7374290

COC(=O)/C=C/CCCCOc1ccccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ AVPR2 P30518 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PPARD Q03181 1/20 0.36

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
SCHEMBL7374292 1.00 RECQL (0.40) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7371605 0.92 ALDH1A1 (0.41) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7371608 0.92 ALDH1A1 (0.41) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7378365 0.90 PPARD (0.45) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7378362 0.90 PPARD (0.45) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7373554 0.87 RECQL (0.46) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7374038 0.87 RECQL (0.43) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7373409 0.87 RECQL (0.45) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7372435 0.86 RECQL (0.46) RECQLKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7368652 0.86 RECQL (0.48) RECQLKMT2AMAPTSMN1; SMN2MEN1

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
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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 — — EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 — — WO disclosed
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