SCHEMBL5738843

SCHEMBL5738843

COC(=O)c1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL27487499 0.90 LMNA (0.61) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5235008 0.88 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5739660 0.87 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5232709 0.82 ALDH1A1 (0.63) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4241238 0.80 KMT2A (0.68) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5234812 0.80 GAA (0.61) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL13878279 0.79 NPC1 (0.73) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL27399106 0.79 TSHR (0.59) KMT2AMAPTLMNAKDM4EHPGD
SCHEMBL905244 0.78 ALDH1A1 (0.63) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL6781102 0.78 RAB9A (0.66) MEN1KMT2ASMN1; SMN2MAPTLMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 — — EP disclosed
CN-1231666-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 1999-10-13 — — CN disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 — — US disclosed
US-5610156-A USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1997-03-11 — — US disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 — — US disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 — — US disclosed
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