SCHEMBL27212643

SCHEMBL27212643

COc1ccnc(C(=O)NN=C(C)CC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PYGL P06737 1/20 0.39
▸ PYGM P11217 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
SCHEMBL27212640 0.82 KDM4C (0.53) GAAKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL24835694 0.78 RAB9A (0.60) GAAKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL30777268 0.78 RAB9A (0.60) GAAKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL110541 0.74 GRM5 (0.52) KDM4ESMN1; SMN2HTTGRM5LMNA
SCHEMBL4548050 0.72 KDR (0.57) GRM5PYGLPYGM
SCHEMBL2995777 0.71 KDM4E (0.56) GAAKMT2AMEN1KDM4ETDP1
SCHEMBL2995779 0.71 KDM4E (0.56) GAAKMT2AMEN1KDM4ETDP1
SCHEMBL3735813 0.71 GRM5 (0.49) KMT2AKDM4EHTTGRM5LMNA
SCHEMBL2915719 0.70 CCR1 (0.53) KMT2AKDM4ESMN1; SMN2HTTGRM5
SCHEMBL14147364 0.70 GRM5 (0.51) KDM4ESMN1; SMN2HTTGRM5LMNA

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-20240317978-A1 RUBBER COMPOSITION AND TIRE OTSUKA CHEMICAL CO., LTD. (JP) 2024-09-26 — — US disclosed
EP-4365229-A1 RUBBER COMPOSITION AND TIRE Otsuka Chemical Co., Ltd. (JP) 2024-05-08 — — EP disclosed
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