SCHEMBL29274258

SCHEMBL29274258

COc1ccc(Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
LTA4H P09960 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
GPR55 Q9Y2T6 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAOA P21397 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL28555837 0.88 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL29034739 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAPTMAPK1
Methoxymethane SCHEMBL27522023 0.82 CYP1A2 (0.54) SMN1; SMN2MAPTMAPK1ALDH1A1KMT2A
SCHEMBL3823448 0.81 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL10654709 0.80 TSHR (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28712089 0.80 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL8089116 0.79 KMT2A (0.46) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL5219494 0.78 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL430628 0.78 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL257715 0.78 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTMAPK1

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
CN-121574101-A Preparation method and application of quinazoline compound 厦门大学 2026-02-27 CN disclosed
CN-118239888-A Modularized synthesis method and application of acridine compound 厦门大学 2024-06-25 CN disclosed