SCHEMBL11266913

SCHEMBL11266913

COc1ccc(CCC2(Cn3ccnc3)SCCC(C)S2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.42
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CYP19A1 P11511 2/20 0.41
ORAI1 Q96D31 1/20 0.41
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL11260759 0.90 HMOX1 (0.44) HMOX1CYP3A4ALDH1A1MAPTTDP1
SCHEMBL11262411 0.89 CYP3A4 (0.40) HMOX1CYP3A4ALDH1A1MAPTTDP1
SCHEMBL11266945 0.89 HMOX1 (0.44) HMOX1
SCHEMBL11253922 0.89 HMOX1 (0.44) HMOX1CYP19A1
SCHEMBL11270574 0.88 CYP3A4 (0.47) HMOX1CYP3A4ALDH1A1MAPTTDP1
SCHEMBL11255611 0.88 HMOX1 (0.56) HMOX1
SCHEMBL11260471 0.88 HMOX1 (0.54) HMOX1CYP19A1
SCHEMBL11273257 0.87 HMOX1 (0.43) HMOX1CYP3A4MAPTCYP1A2CYP19A1
SCHEMBL11262523 0.86 CYP3A4 (0.45) HMOX1CYP3A4ALDH1A1MAPTTDP1
SCHEMBL11266244 0.84 CYP3A4 (0.46) HMOX1CYP3A4ALDH1A1MAPTTDP1

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US claimed