SCHEMBL29923988

SCHEMBL29923988

COc1cc2c(Br)cccc2nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PRNP P04156 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NQO2 P16083 6/20 0.44
ALOX15 P16050 1/20 0.43
BACE1 P56817 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 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
SCHEMBL24915779 1.00 MAPT (0.45) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL24916325 0.79 BACE1 (0.47) MAPTALDH1A1HPGDLMNANQO2
SCHEMBL29923623 0.79 BACE1 (0.47) MAPTALDH1A1HPGDLMNANQO2
SCHEMBL29923356 0.78 MAPT (0.46) MAPTALDH1A1PRNPNPSR1RXFP1
SCHEMBL24916334 0.78 MAPT (0.46) MAPTALDH1A1PRNPNPSR1RXFP1
SCHEMBL24915597 0.78 BCL2L11 (0.42) MAPTHPGDLMNASMN1; SMN2NQO2
SCHEMBL23208763 0.78 RXFP1 (0.46) MAPTALDH1A1PRNPNPSR1RXFP1
SCHEMBL24951537 0.74 KDM4E (0.49) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL24915844 0.73 GRM1 (0.45) MAPTALDH1A1HPGDSMN1; SMN2RXFP1
SCHEMBL29923867 0.73 GRM1 (0.45) MAPTALDH1A1HPGDSMN1; SMN2RXFP1

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed