SCHEMBL21628092

SCHEMBL21628092

C=Cc1ccc([SiH2]CC(NC)NC)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL610998 0.77 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL609390 0.76 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL608121 0.71 TAS1R3 (0.36) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL609599 0.69 TAS1R3 (0.35) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL9651773 0.67 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL8165840 0.66 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL2104550 0.66
SCHEMBL610904 0.66 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL19712175 0.65 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL4079884 0.65 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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
US-11377513-B2 Conjugated diene polymer and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-07-05 US disclosed
US-20200031976-A1 CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-01-30 US disclosed