SCHEMBL30876997

SCHEMBL30876997

OB(O)c1ccccc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.49
KMT2A Q03164 11/20 0.49
NTSR1 P30989 1/20 0.49
MAPT P10636 9/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 2/20 0.46
MAPK10 P53779 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
ADORA1 P30542 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
KDM4E B2RXH2 3/20 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
SCHEMBL23406885 0.90 MEN1 (0.54) MEN1KMT2ANTSR1MAPTSMN1; SMN2
SCHEMBL31184102 0.90 MEN1 (0.54) MEN1KMT2ANTSR1MAPTSMN1; SMN2
SCHEMBL27294946 0.85 TSHR (0.50) MEN1KMT2ANTSR1MAPTLMNA
SCHEMBL31029840 0.82 ALOX15 (0.47) MEN1KMT2ANTSR1MAPTSMN1; SMN2
SCHEMBL28374065 0.81 MEN1 (0.45) MEN1KMT2ANTSR1MAPTSMN1; SMN2
SCHEMBL31626618 0.81 TSHR (0.46) MEN1KMT2ANTSR1MAPTSMN1; SMN2
SCHEMBL16441396 0.80 PLAUR (0.39) MEN1KMT2ANTSR1MAPTSMN1; SMN2
SCHEMBL26815312 0.78 MEN1 (0.44) MEN1KMT2ANTSR1MAPTSMN1; SMN2
SCHEMBL21933 0.76 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL29838597 0.76 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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-2024091024-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-05-02 WO disclosed