SCHEMBL8934644

SCHEMBL8934644

c1cc(CN2CCCC2)cc(NC2=NCCS2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
PRMT6 Q96LA8 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACP1 P24666 5/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL8934519 0.84 POLB (0.54) POLBHPGDALDH1A1
SCHEMBL9685763 0.74 PRMT6 (0.53) PRMT6SMN1; SMN2ALDH1A1TDP1CDK5
SCHEMBL9628581 0.73 POLB (0.51) POLBHPGDSMN1; SMN2ALDH1A1
SCHEMBL4256937 0.72 ALDH1A1 (0.71) POLBHPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL922710 0.71 PRMT6 (0.57) POLBPRMT6SMN1; SMN2ALDH1A1TDP1
SCHEMBL7354403 0.70 POLB (1.00) POLBHPGDSMN1; SMN2ALDH1A1
SCHEMBL6736373 0.70 SMN1; SMN2 (0.58) POLBPRMT6SMN1; SMN2ALDH1A1TDP1
SCHEMBL25920563 0.69 PRMT6 (0.51) PRMT6SMN1; SMN2ALDH1A1TDP1ACP1
SCHEMBL11339852 0.68 PRMT6 (0.78) POLBPRMT6SMN1; SMN2ALDH1A1TDP1
SCHEMBL11192726 0.68 PRMT6 (0.78) POLBPRMT6SMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed