SCHEMBL11237210

SCHEMBL11237210

CCC(Cl)NCCCNC(=O)Nc1cc(Br)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
KMT2A Q03164 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CASR P41180 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
POLB P06746 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL11226987 0.85 KMT2A (0.44) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL11276662 0.81 KMT2A (0.45) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL11237207 0.80 KMT2A (0.41) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL11237203 0.77 EPHX2 (0.43) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL11221775 0.73 MAPT (0.53) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL11220984 0.73 KMT2A (0.58) KMT2AMEN1MAPTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11233929 0.72 MAPT (0.53) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL11408691 0.69 MAPT (0.55) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8415420 0.68 MAPT (0.53) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL5660269 0.68 GPR35 (0.53) KMT2ANPC1RAB9AMEN1MAPT

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-4348413-A Anti-arrhythmic N-[3-alkylaminopropyl]-N'-phenylureas AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-07 US disclosed
WO-1980000151-A1 N-(3-ALKYLAMINOPROPYL)-N'-PHENYLUREAS AMERICAN HOME PROD (US) 1980-02-07 WO disclosed