SCHEMBL10787397

SCHEMBL10787397

CCCC[Sn](CCCC)(CCCC)SCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
LMNA P02545 4/20 0.46
HTT P42858 4/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CNR1 P21554 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EGFR P00533 1/20 0.42
MET P08581 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL10782023 0.86 HTT (0.37) TSHRLMNAHTTALDH1A1POLB
SCHEMBL10786680 0.80 TSHR (0.56) TSHRLMNAHTTALDH1A1POLB
SCHEMBL2123106 0.79 CYP1A2 (0.52) TSHRLMNAHTTALDH1A1CYP1A2
SCHEMBL9172285 0.76 TSHR (0.59) TSHRLMNAHTTALDH1A1CYP1A2
SCHEMBL1821090 0.76 TSHR (0.54) TSHRLMNAHTTALDH1A1POLB
SCHEMBL14060334 0.75 TSHR (0.57) TSHRLMNAHTTALDH1A1POLB
SCHEMBL9175089 0.75 TSHR (0.57) TSHRLMNAHTTALDH1A1CYP1A2
SCHEMBL3674670 0.75 TSHR (0.47) TSHRLMNAHTTALDH1A1CYP1A2
SCHEMBL3674672 0.75 TSHR (0.47) TSHRLMNAHTTALDH1A1CYP1A2
SCHEMBL2716313 0.75 TSHR (0.61) TSHRLMNAHTTALDH1A1POLB

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-4678804-A PHYTOPATHOGENS CHEVRON RESEARCH COMPANY (US) 1987-07-07 US disclosed