SCHEMBL9504585

SCHEMBL9504585

CCC(c1ccccn1)N(Cl)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.44
KCNA5 P22460 3/20 0.43
KCNH2 Q12809 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 4/20 0.41
CYP2D6 P10635 2/20 0.41
KCNE1 P15382 1/20 0.41
LMNA P02545 3/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SLC6A3 Q01959 3/20 0.40
ADRA2A P08913 2/20 0.40

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
SCHEMBL26620702 0.83 CYP2C19 (0.48) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2
SCHEMBL2681260 0.75 TSHR (0.55) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2
SCHEMBL24316289 0.75 CYP2C19 (0.46) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2
SCHEMBL21742145 0.72 TSHR (0.51) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2
SCHEMBL2393894 0.72 KDM4E (0.40) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2
SCHEMBL8626385 0.71 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2
SCHEMBL21742125 0.71 KCNA5 (0.51) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2
SCHEMBL10694579 0.71 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TSHR
SCHEMBL14094773 0.70 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2
SCHEMBL2680153 0.69 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C19KCNA5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426987-B1 RAPIDLY IMMOBILIZING PAPER COATING COMPOSITIONS National Starch and Chemical Investment Holding Corporation (US) 1993-07-14 EP claimed
US-5093159-A Cationic Starch, Pigment, Base NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-03-03 US claimed
EP-0426987-A1 Rapidly immobilizing paper coating compositions National Starch and Chemical Investment Holding Corporation (US) 1991-05-15 EP claimed
EP-0426987-B1 RAPIDLY IMMOBILIZING PAPER COATING COMPOSITIONS National Starch and Chemical Investment Holding Corporation (US) 1993-07-14 EP disclosed
US-5093159-A Cationic Starch, Pigment, Base NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-03-03 US disclosed
EP-0426987-A1 Rapidly immobilizing paper coating compositions National Starch and Chemical Investment Holding Corporation (US) 1991-05-15 EP disclosed