SCHEMBL11248878

SCHEMBL11248878

CSc1cccc(OP(=O)(S)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.35
GRM4 Q14833 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34

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
SCHEMBL11248881 0.80 ALDH1A1 (0.40) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL11252416 0.78 ALDH1A1 (0.55) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL8587455 0.75 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL28637158 0.72 CYP1A1 (0.42) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL11657502 0.70 MEN1 (0.37) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL1145531 0.70 CYP1A2 (0.58) SMN1; SMN2RAB9AALDH1A1TP53TSHR
SCHEMBL29974516 0.70 CYP1A2 (0.58) SMN1; SMN2RAB9AALDH1A1TP53TSHR
SCHEMBL11697473 0.69 MEN1 (0.41) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL2099844 0.69 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL8942210 0.68 HCRTR1 (0.47) SMN1; SMN2RAB9ATP53TSHRNPSR1

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
US-4322414-A MITICIDES; APHIDICIDES; LARVICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-03-30 US disclosed