SCHEMBL29683702

SCHEMBL29683702

CN(C)c1ccc(/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.56
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
PGR P06401 1/20 0.53
ADRB1 P08588 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
CHRM3 P20309 1/20 0.53
CNR1 P21554 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
HRH2 P25021 1/20 0.53
HTR2C P28335 1/20 0.53
BDKRB2 P30411 1/20 0.53
ADORA1 P30542 1/20 0.53
AGTR1 P30556 1/20 0.53

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
SCHEMBL24437495 0.91 MLNR (0.53) BLMMLNRNR1I2PGRADRB1
SCHEMBL24446420 0.87 MAPT (0.44) BLMMLNRNR1I2PGRADRB1
SCHEMBL29683885 0.86 BLM (0.52) BLMMLNRNR1I2PGRADRB1
SCHEMBL28736058 0.86 BLM (0.52) BLMMLNRNR1I2PGRADRB1
Iodide SCHEMBL22542622 0.86 MAPT (0.52) BLMMEN1KMT2APRMT1MAPT
Iodide SCHEMBL22542623 0.86 MAPT (0.52) BLMMEN1KMT2APRMT1MAPT
SCHEMBL31687205 0.85 BLM (0.51) BLMMLNRNR1I2PGRADRB1
SCHEMBL29683891 0.82 BLM (0.53) BLMMLNRNR1I2PGRADRB1
SCHEMBL14562234 0.81 MAPT (0.61) BLMMLNRNR1I2PGRADRB1
Iodide SCHEMBL22542614 0.81 PRMT1 (0.53) BLMMEN1KMT2APRMT1MAPT

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
EP-4001264-B1 WATER-SOLUBLE COMPOUND FOR DETECTION OF BETA-AMYLOID KOREA ATOMIC ENERGY RES (KR) 2025-09-24 EP disclosed
EP-4001264-A1 WATER-SOLUBLE COMPOUND FOR DETECTION OF BETA-AMYLOID Korea Atomic Energy Research Institute (KR) 2022-05-25 EP disclosed