SCHEMBL9635151

SCHEMBL9635151

O=C1NCCSc2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.50
F7 P08709 1/20 0.50
PARP1 P09874 1/20 0.50
F3 P13726 1/20 0.50
RYR2 Q92736 1/20 0.50
VHL P40337 1/20 0.46
ELOC Q15369 1/20 0.46
ELOB Q15370 1/20 0.46
PARP11 Q9NR21 3/20 0.42
PPOX P50336 1/20 0.42
GRM5 P41594 1/20 0.40
CES1 P23141 2/20 0.39
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
MET P08581 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
FLT3 P36888 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
SCHEMBL26942243 0.80 PARP10 (0.54) PARP10PARP1RYR2PARP11GRM5
SCHEMBL26653947 0.80 PARP10 (0.54) PARP10PARP1RYR2PARP11CES1
SCHEMBL30657972 0.80 PARP10 (0.54) PARP10PARP1RYR2PARP11CES1
SCHEMBL14691900 0.80 PARP10 (0.50) PARP10PARP1RYR2PARP11GRM5
SCHEMBL1238521 0.80 PRKD1 (0.50) PARP10PARP1RYR2PARP11MEN1
SCHEMBL9636679 0.78 RYR2 (0.48) PARP10RYR2PARP11GRM5MEN1
SCHEMBL9635297 0.78 PARP1 (0.55) PARP10PARP1RYR2PARP11MEN1
SCHEMBL9032903 0.77 MEN1 (0.55) PARP10F7PARP1F3RYR2
SCHEMBL14691928 0.76 RYR2 (0.78) RYR2GRM5KDRMAP2K1METAP1
SCHEMBL5850195 0.75 RYR2 (0.55) PARP10PARP1RYR2PARP11GSK3B

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
EP-0368063-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-06-10 EP disclosed
US-4990707-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed