SCHEMBL9928484

SCHEMBL9928484

C=Nc1ccc(C(C)(C)C)cc1/C=C\C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL21648677 0.86 MAPT (0.37) MAPTSMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL20274085 0.85 HRH4 (0.38) KDM4E
SCHEMBL20193932 0.79 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL18024071 0.77 KDM4E (0.36) MAPTALDH1A1GAAPKMHPGD
SCHEMBL23656272 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19337459 0.75 F2RL1 (0.38)
SCHEMBL20274086 0.75 ERN1 (0.32) ALDH1A1HPGDTDP1
SCHEMBL20274081 0.75 ERN1 (0.32) MAPTALDH1A1MEN1GAAPKM
SCHEMBL26041720 0.74 GAA (0.40) MAPTSMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL18768659 0.74 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021115489-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
WO-2021114314-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
US-8907086-B2 Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
WO-2012118945-A2 FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-09-07 WO disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 WO disclosed