SCHEMBL8428842

SCHEMBL8428842

O=C(CCCCl)N1c2ccccc2Sc2ccc(Cl)cc21

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
BCHE P06276 4/20 0.72
ACHE P22303 3/20 0.72
ALDH1A1 P00352 3/20 0.69
KDM4E B2RXH2 1/20 0.69
LMNA P02545 2/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.58
ADRB3 P13945 1/20 0.56
HRH2 P25021 1/20 0.56
ADRA1D P25100 1/20 0.56
HTR2A P28223 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CNR2 P34972 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54

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
SCHEMBL11171388 0.92 BCHE (0.75) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL8428979 0.89 MAPK1 (0.70) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL5239436 0.87 BCHE (0.78) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL15908348 0.83 MEN1 (0.75) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL11153456 0.81 MEN1 (0.62) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL11159776 0.81 MEN1 (0.65) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL11155513 0.81 MEN1 (0.61) MEN1KMT2ABCHEACHEALDH1A1
Chloracyzine SCHEMBL29388455 0.81 ALDH1A1 (0.77) MEN1KMT2ABCHEACHEALDH1A1
Chloracyzine SCHEMBL309939 0.81 ALDH1A1 (0.77) MEN1KMT2ABCHEACHEALDH1A1
Chloracyzine SCHEMBL30719025 0.81 ALDH1A1 (0.77) MEN1KMT2ABCHEACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861394-A COMPOUNDS AS ANTIISCHEMIC AGENTS, TREATMENT OF STROKES, ANTIHEMORRHEGENIC AGENTS, ANTIDEPRESSANTS OR TREATMENT OF SICKKLE CELL ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US claimed
US-4083976-A SPASMOLYTIC, CORONARY-DILATANT LIKHOSHERSTOV ARKADY MIKHAILOV 1978-04-11 US disclosed
US-3998820-A 4-DIAZABICYCLO-4,M,O-ALKANYL-ACYL)-PHENOTHIAZINES, THEIR ACIDIC ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR PRODUCING SAME AND USESPASMOLYTICS; CORONARY DILATANTS LIKHOSHERSTOV ARKADY MIKHAILOV 1976-12-21 US disclosed