SCHEMBL30814749

SCHEMBL30814749

CC1(Nc2cc(Br)ccc2[N+](=O)[O-])CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CCKBR P32239 1/20 0.32
SNCA P37840 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL30814767 0.93 MAPT (0.38) MAPTPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL29612473 0.83 MAPT (0.39) MAPTPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL23042411 0.83 MAPT (0.39) MAPTPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL25877480 0.78 MAPT (0.38) MAPTPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL30814586 0.73 MAPK1 (0.43) MAPTPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL990017 0.70 MAPT (0.58) MAPTPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL29729424 0.70 MAPT (0.58) MAPTPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL29612465 0.70 MAPK1 (0.36) MAPTCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL28730678 0.70 MAPK1 (0.36) MAPTCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL23042586 0.69 MAPK1 (0.35) MAPTCYP1A2CYP2C19CYP2C9CYP3A4

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