SCHEMBL11446355

SCHEMBL11446355

CCOC(=O)C(Cc1ccccc1)=C(N)OCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41
PAM P19021 1/20 0.41

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
SCHEMBL11446353 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9003251 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9003247 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28757779 0.83 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28749788 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL305362 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1119176 0.78 CES2 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28728818 0.77 L3MBTL1 (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11453569 0.76 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11453565 0.76 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30420-E DIURETIC, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4186199-A Indolo-,1,2-dihydroindolo-, and 1,2,6,7-tetrahydroindolo [1,7-ab][1,5] benzodiazepines AMERICAN HOECHST CORPORATION (US) 1980-01-29 US disclosed
US-4112227-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4056533-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-4000294-A DIURESIS OR SALURESIS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992404-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed