SCHEMBL21065752

SCHEMBL21065752

Cc1ccc(N(C)C)cc1.[LiH]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.94
TSHR P16473 5/20 0.94
ALOX15 P16050 3/20 0.69
HSD17B10 Q99714 2/20 0.69
MAPK1 P28482 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
CYP3A4 P08684 3/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.50
GFER P55789 1/20 0.50
MCL1 Q07820 1/20 0.50
ACHE P22303 1/20 0.50
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC2A1 P11166 1/20 0.46
HIF1A Q16665 1/20 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
SCHEMBL20678561 0.97 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL28378 0.97 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPK1
Bromide SCHEMBL20876003 0.94 ALDH1A1 (0.94) ALDH1A1TSHRALOX15HSD17B10MAPK1
Ammonia Solution, Strong SCHEMBL696967 0.94 ALDH1A1 (0.94) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL15346028 0.94 ALDH1A1 (0.94) ALDH1A1TSHRALOX15HSD17B10MAPK1
Lithium Ion SCHEMBL19732784 0.94 ALDH1A1 (0.94) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL2861537 0.94 ALDH1A1 (0.94) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL29910586 0.94 ALDH1A1 (0.94) ALDH1A1TSHRALOX15HSD17B10MAPK1
Methyl Alcohol SCHEMBL9500919 0.91 ALDH1A1 (0.88) ALDH1A1TSHRALOX15HSD17B10MAPK1
Fluoride Ion SCHEMBL3700549 0.91 ALDH1A1 (0.88) ALDH1A1TSHRALOX15HSD17B10MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091609-B2 Modified conjugated diene-based polymer, production method thereof, rubber composition and tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-17 US disclosed
EP-3502144-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER, PRODUCTION METHOD THEREOF, RUBBER COMPOSITION AND TIRE ASAHI CHEMICAL IND (JP) 2021-06-02 EP disclosed
US-20190203021-A1 Modified Conjugated Diene-Based Polymer, Production Method Thereof, Rubber Composition and Tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-04 US disclosed
EP-3502144-A1 MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING SAME, RUBBER COMPOSITION, AND TIRE ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-06-26 EP disclosed