SCHEMBL30638121

SCHEMBL30638121

O=[N+]([O-])c1ccc(OCc2cnccn2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MAPT P10636 8/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
PDE7A Q13946 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44

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
SCHEMBL2702769 1.00 KMT2A (0.54) KMT2AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL30354796 0.85 KMT2A (0.45) KMT2AMAPTLMNASMN1; SMN2RAB9A
SCHEMBL25384763 0.85 KMT2A (0.45) KMT2AMAPTLMNASMN1; SMN2RAB9A
SCHEMBL5569289 0.84 KMT2A (0.55) KMT2AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL21835362 0.83 MAPT (0.52) KMT2AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL29780767 0.83 MAPT (0.58) KMT2AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL215759 0.83 MAPT (0.58) KMT2AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL30218362 0.83 MAPT (0.58) KMT2AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL11241454 0.81 CYP19A1 (0.60) KMT2AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL3993993 0.81 MAPT (0.56) KMT2AMAPTLMNAHPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed
CN-116655599-A Synthesis and application of EGFR allosteric inhibitors 江南大学 2023-08-29 CN disclosed