SCHEMBL7188557

SCHEMBL7188557

CN(CCN)CCCCCCCCCCCCS

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.61
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DNM1 Q05193 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL20221926 1.00 CHRM2 (0.61) CHRM2TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL24770601 0.82 CHRM2 (0.89) CHRM2TSHRALDH1A1DNM1CA12
SCHEMBL16752080 0.82 CHRM2 (0.62) CHRM2TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL24196749 0.82 CHRM2 (0.89) CHRM2TSHRALDH1A1DNM1CA12
Bromide SCHEMBL18604239 0.80 ALDH1A1 (0.58) CHRM2TSHRALDH1A1DNM1TDP1
SCHEMBL12185694 0.80 CHRM2 (0.59) CHRM2TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL4285948 0.79 CHRM2 (0.83) CHRM2TSHRALDH1A1DNM1TDP1
SCHEMBL18871722 0.79 ALDH1A1 (0.56) CHRM2TSHRALDH1A1DNM1TDP1
SCHEMBL634241 0.79 CHRM2 (0.63) CHRM2TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL8493299 0.78 DNM1 (0.59) CHRM2TSHRALDH1A1DNM1SIGMAR1

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-6641804-B1 Resin and a diluent, the resin (T) providing a resin film having at least one resin selected from the group consisting of vinyl resins, polyester resins, polyamide resins, silicone resins, cationic urethane resins, ampholytic urethane resins SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-04 US disclosed