SCHEMBL30814767

SCHEMBL30814767

CC1(Nc2cc(Br)ccc2[N+](=O)[O-])CCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SNCA P37840 1/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL30814749 0.93 MAPT (0.37) MAPTPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL23042411 0.85 MAPT (0.39) MAPTPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL29612473 0.85 MAPT (0.39) MAPTPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL25877480 0.80 MAPT (0.38) MAPTPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL12028784 0.73 MAPK1 (0.44) MAPTPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL29612465 0.72 MAPK1 (0.36) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28730678 0.72 MAPK1 (0.36) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29612887 0.71 MAPK1 (0.35) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23042586 0.71 MAPK1 (0.35) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29612526 0.71 MAPK1 (0.40) MAPTALDH1A1KDM4EMAPK1PKM

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-2024046221-A1 EGFR INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2024-03-07 WO disclosed