Toluene

Toluene

SCHEMBL28855142

Cc1ccccc1.NCC(N)c1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
HTR2A P28223 1/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
TACR1 P25103 2/20 0.47
SCN4A P35499 7/20 0.46

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
SCHEMBL1952916 0.89 TAAR1 (0.62) TAAR1HTR2ASCN4A
SCHEMBL507195 0.89 TAAR1 (0.62) TAAR1HTR2ASCN4A
SCHEMBL507194 0.89 TAAR1 (0.62) TAAR1HTR2ASCN4A
Hydrochloric Acid SCHEMBL18547879 0.86 TAAR1 (0.59) TAAR1HTR2ASCN4A
Hydrochloric Acid SCHEMBL28583636 0.86 TAAR1 (0.59) TAAR1HTR2ASCN4A
Hydrochloric Acid SCHEMBL6694632 0.86 TAAR1 (0.59) TAAR1HTR2ASCN4A
Hydrochloric Acid SCHEMBL4696174 0.86 TAAR1 (0.59) TAAR1HTR2ASCN4A
SCHEMBL4707636 0.84 CYP1A2 (0.41) TAAR1ACHETACR1
Hydrochloric Acid SCHEMBL28699278 0.82 CYP1A2 (0.39) TAAR1HTR2AACHE
SCHEMBL4277230 0.81 AOC3 (0.45) TAAR1HTR2AACHETACR1SCN4A

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-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
CN-110603273-A Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2019-12-20 CN disclosed