SCHEMBL30748241

SCHEMBL30748241

CC(=O)c1ccccc1Oc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.47
CTNNB1 P35222 1/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
HTR1A P08908 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC6A3 Q01959 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
SLC1A5 Q15758 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL24631538 1.00 KMT2A (0.50) KMT2AALDH1A1CTNNB1KDM4ELMNA
SCHEMBL2864968 0.86 CTNNB1 (0.51) ALDH1A1CTNNB1KDM4EHTR1ASLC6A2
SCHEMBL30775056 0.86 CTNNB1 (0.51) ALDH1A1CTNNB1KDM4EHTR1ASLC6A2
SCHEMBL19524204 0.83 SCN8A (0.53) KMT2AALDH1A1CTNNB1KDM4ELMNA
SCHEMBL19524223 0.83 SCN8A (0.56) KMT2ACTNNB1KDM4ELMNASLC6A4
SCHEMBL11455143 0.81 SMN1; SMN2 (0.54) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL3179214 0.81 CTNNB1 (0.67) KMT2AALDH1A1CTNNB1KDM4ELMNA
SCHEMBL29679671 0.81 CTNNB1 (0.67) KMT2AALDH1A1CTNNB1KDM4ELMNA
SCHEMBL27679500 0.81 LMNA (0.55) ALDH1A1CTNNB1KDM4ELMNAMAPT
SCHEMBL22719512 0.81 RXFP1 (0.57) MAPTRAB9AMAOB

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
CN-117279632-A TAAR1 and serotonin modulators, pharmaceutical compositions thereof, and methods of use 赛诺维信制药公司 2023-12-22 CN disclosed