SCHEMBL21065735

SCHEMBL21065735

Cc1ccccc1N(C)C.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ACHE P22303 2/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CHEK1 O14757 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTR6 P50406 1/20 0.39
NSD2 O96028 1/20 0.39
EGFR P00533 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL29239 0.97 TSHR (0.50) TSHRACHEMAPTALDH1A1GAA
SCHEMBL29435133 0.97 TSHR (0.50) TSHRACHEMAPTALDH1A1GAA
Bromide SCHEMBL27593416 0.94 TSHR (0.47) TSHRACHEMAPTALDH1A1GAA
Fluoride SCHEMBL27770917 0.94 TSHR (0.47) TSHRACHEMAPTALDH1A1GAA
Water SCHEMBL27875928 0.94 TSHR (0.47) TSHRACHEMAPTALDH1A1GAA
Lithium Ion SCHEMBL19732623 0.94 TSHR (0.47) TSHRACHEMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL6421167 0.94 TSHR (0.47) TSHRACHEMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL2869837 0.94 TSHR (0.47) TSHRACHEMAPTALDH1A1GAA
Bromide SCHEMBL11815049 0.94 TSHR (0.47) TSHRACHEMAPTALDH1A1GAA
SCHEMBL27755669 0.92 TSHR (0.45) TSHRACHEMAPTALDH1A1GAA

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