SCHEMBL7965105

SCHEMBL7965105

COC(=O)c1ccc(C(=O)N(C)c2ccccc2-n2cccc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 3/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38
TUBA1A Q71U36 3/20 0.38
TUBA1C Q9BQE3 3/20 0.38
TUBB6 Q9BUF5 3/20 0.38
TUBB2B Q9BVA1 3/20 0.38
TUBB1 Q9H4B7 3/20 0.38

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
SCHEMBL7954361 0.90 L3MBTL1 (0.45) L3MBTL1GAAKMT2ARAB9ATUBB4A
SCHEMBL7418271 0.84 KMT2A (0.47) GAAKMT2ANPC1RAB9AALDH1A1
SCHEMBL7430332 0.83 MAPT (0.46) L3MBTL1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7424234 0.82 MAPT (0.47) GAAKMT2AALDH1A1MAPTTSHR
SCHEMBL7425788 0.77 KDM4E (0.54) L3MBTL1GAAKMT2ARAB9AALDH1A1
SCHEMBL7593381 0.77 BRD4 (0.43) L3MBTL1GAAKMT2ARAB9AMAPT
Hydrochloric Acid SCHEMBL7598923 0.76 BRD4 (0.42) L3MBTL1GAAKMT2ARAB9AMAPT
SCHEMBL7427541 0.74 BCL2L1 (0.35) L3MBTL1GAAKMT2ANPC1ALDH1A1
SCHEMBL7423134 0.74 PTPN1 (0.51) L3MBTL1GAAKMT2AALDH1A1MAPT
SCHEMBL7427546 0.74 TUBB4A (0.42) L3MBTL1GAAKMT2ATUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed