SCHEMBL7613063

SCHEMBL7613063

CCOC(=O)c1c(Cl)csc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 8/20 0.63
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 2/20 0.60
POLB P06746 1/20 0.60
HSD17B10 Q99714 5/20 0.57
HPGD P15428 3/20 0.57
MAPT P10636 6/20 0.56
GAA P10253 3/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALOX15 P16050 3/20 0.56
MPI P34949 1/20 0.56
USP2 O75604 1/20 0.56
KEAP1 Q14145 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
PRKCI P41743 2/20 0.53
FHIT P49789 1/20 0.51

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
Chloromethane SCHEMBL21192469 0.83 ALDH1A1 (0.60) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL162443 0.83 ALDH1A1 (0.63) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL14637818 0.83 PRKCZ (0.48) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL4102678 0.81 ALDH1A1 (0.61) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL10532585 0.81 ALDH1A1 (0.75) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL8907488 0.81 ALDH1A1 (0.61) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL19260347 0.81 ALDH1A1 (0.55) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL16643764 0.80 ALDH1A1 (0.60) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL20439951 0.80 PRKCZ (0.46) PRKCZALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL689476 0.80 PRKCZ (0.67) PRKCZALDH1A1SMN1; SMN2MAPK1POLB

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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed