SCHEMBL23189282

SCHEMBL23189282

CCCOc1ccc(-c2nnc(C)o2)cc1N(C)C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.38
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
KDM4E B2RXH2 6/20 0.38
RAB9A P51151 5/20 0.38
HSD17B10 Q99714 5/20 0.38
LCLAT1 Q6UWP7 4/20 0.38
NPC1 O15118 4/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
S1PR1 P21453 1/20 0.37
TP53 P04637 2/20 0.37
AOC3 Q16853 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL20344598 0.91 HPGD (0.38) HPGDALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL20344551 0.81 LCLAT1 (0.45) HPGDALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL19980507 0.81 ACHE (0.53) SMN1; SMN2KDM4ERAB9AHSD17B10NPC1
SCHEMBL21155980 0.80 NOTUM (0.45) ALDH1A1KDM4EHSD17B10
SCHEMBL19980506 0.80 LRRK2 (0.36) HPGDALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL19980257 0.79 HTR1D (0.41) HPGDALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL20344681 0.74 CYP1A2 (0.45) HPGDALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL22710190 0.74 ROCK2 (0.48)
SCHEMBL22048701 0.72 KMT2A (0.47) HPGDALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL19980139 0.72 CSNK2A1 (0.40) HPGDALDH1A1SMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 EP disclosed