SCHEMBL21065746

SCHEMBL21065746

Cc1cccc(N(C)C)c1.[LiH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.54
ACHE P22303 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
NSD2 O96028 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
SIGMAR1 Q99720 2/20 0.46
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
MAPK1 P28482 2/20 0.42
EGFR P00533 2/20 0.41
CSF1R P07333 2/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL29381010 0.97 ALDH1A1 (0.56) ALDH1A1TSHRACHETDP1MEN1
SCHEMBL12879 0.97 ALDH1A1 (0.56) ALDH1A1TSHRACHETDP1MEN1
Lithium Ion SCHEMBL19732618 0.95 ALDH1A1 (0.54) ALDH1A1TSHRACHETDP1MEN1
Hydrochloric Acid SCHEMBL2869751 0.95 ALDH1A1 (0.54) ALDH1A1TSHRACHETDP1MEN1
Nitrogen SCHEMBL11398968 0.93 ALDH1A1 (0.52) ALDH1A1TSHRACHETDP1MEN1
Toluene SCHEMBL27636807 0.91 TSHR (0.50) ALDH1A1TSHRACHETDP1MEN1
SCHEMBL24061021 0.84 HSD17B1 (0.51) ALDH1A1TSHRACHETDP1MEN1
SCHEMBL1697445 0.82 ACHE (0.55) ALDH1A1TSHRACHETDP1MEN1
SCHEMBL5884667 0.82 HSD17B1 (0.43) ALDH1A1TSHRACHETDP1MEN1
SCHEMBL4391221 0.81 ALDH1A1 (0.67) ALDH1A1TSHRACHETDP1MEN1

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