SCHEMBL31663795

SCHEMBL31663795

Cc1ncnc(C)c1-c1cc([N+](=O)[O-])ccc1OCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
PIK3CD O00329 2/20 0.43
PIK3R1 P27986 2/20 0.43
PIK3CB P42338 2/20 0.43
KMO O15229 1/20 0.43
CHEK1 O14757 1/20 0.43
POLB P06746 2/20 0.43
PKM P14618 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL30373962 0.91 LTA4H (0.50) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL26089876 0.91 LTA4H (0.50) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL30373901 0.90 LTA4H (0.49) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL26090978 0.90 LTA4H (0.49) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL29619013 0.87 BRD4 (0.48) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL1166226 0.82 HTR2A (0.60) HTR2AHTR2C
SCHEMBL3214392 0.80 NPC1 (0.55) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL3940129 0.79 KMT2A (0.61) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL2086647 0.79 KMT2A (0.61) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL29619010 0.79 MAPT (0.46) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT

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
EP-4236937-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2025-07-23 EP disclosed