SCHEMBL19525331

SCHEMBL19525331

CSC(C)c1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
DGAT1 O75907 1/20 0.37
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 1/20 0.35
PIK3CD O00329 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL19752631 1.00 SMN1; SMN2 (0.40) SMN1; SMN2DGAT1CYP3A4CYP2D6SLC6A2
SCHEMBL1090665 0.79 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL9610895 0.78 LMNA (0.41) SMN1; SMN2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4252351 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1856238 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL18929052 0.77
SCHEMBL15643867 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1978248 0.77 DGAT1 (0.42) SMN1; SMN2DGAT1CYP3A4CYP2D6SLC6A2
SCHEMBL17753549 0.76 FOLH1 (0.33) CYP3A4
SCHEMBL1958707 0.76 P2RX7 (0.30) SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017186577-A1 TIMED-RELEASE-TYPE GRANULAR AGROCHEMICAL COMPOSITION AND METHOD FOR MANUFACTURING SAME BAYER CROPSCIENCE AKTIENGESSELSCHAFT (DE) 2017-11-02 WO disclosed
EP-3238540-A1 TIMED-RELEASE-TYPE GRANULAR AGROCHEMICAL COMPOSITION AND METHOD FOR MANUFACTURING SAME Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed