SCHEMBL3622111

SCHEMBL3622111

CN(C)CCCCCCCCCCCCCCCCCCCCCN

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
ALDH1A1 P00352 2/20 0.69
CHRM2 P08172 1/20 0.68
TDP1 Q9NUW8 1/20 0.56
DNM1 Q05193 8/20 0.55
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
LMNA P02545 1/20 0.50
BLM P54132 1/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL527111 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1
SCHEMBL11862263 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1
SCHEMBL1408753 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1
SCHEMBL1408412 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1
SCHEMBL363743 1.00
SCHEMBL421181 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1
SCHEMBL5892083 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1
SCHEMBL1282643 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1
SCHEMBL258374 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1
SCHEMBL258726 1.00 TSHR (0.69) TSHRALDH1A1CHRM2TDP1DNM1

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
CN-116829120-A Method for treating keratin fibers 花王株式会社 2023-09-29 CN disclosed
US-20100243944-A1 ORGANOPOLYSILOXANES CONTAINING QUATERNARY AMMONIUM GROUPS, THE PRODUCTION AND USE THEREOF WACKER CHEMIE AG (DE) 2010-09-30 US disclosed