SCHEMBL30838558

SCHEMBL30838558

CC(C(=O)NN)c1ccc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 2/20 0.44
PRNP P04156 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK10 P53779 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MGAM O43451 1/20 0.41
NCF1 P14598 2/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 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
SCHEMBL29457163 0.82 CYP1A2 (0.47) ALDH1A1MAPTGAACYP1A2PRNP
SCHEMBL26687449 0.82 CYP1A2 (0.46) ALDH1A1MAPTGAACYP1A2PRNP
SCHEMBL3673078 0.80 KDM4E (0.55) ALDH1A1MAPTCYP1A2PRNPNPSR1
SCHEMBL30838555 0.80 KDM4E (0.45) ALDH1A1MAPTCYP1A2NPSR1RXFP1
SCHEMBL11875642 0.76 ALDH1A1 (0.44) ALDH1A1MAPTGAACYP1A2PRNP
SCHEMBL28310660 0.75 NCF1 (0.46) ALDH1A1MAPTGAACYP1A2PRNP
SCHEMBL7136011 0.73 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2PRNPNPSR1
SCHEMBL29858156 0.73 ACACB (0.48) ALDH1A1MAPTGAACYP1A2PRNP
SCHEMBL19385989 0.73 ACACB (0.48) ALDH1A1MAPTGAACYP1A2PRNP
SCHEMBL9870690 0.73 MGAM (0.48) ALDH1A1MAPTGAACYP1A2PRNP

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
WO-2024071629-A1 NOVEL FLUORENE DERIVATIVE COMPOUND AND USE THEREOF (주)제이디바이오사이언스 2024-04-04 WO disclosed