SCHEMBL16692020

SCHEMBL16692020

CCCCC[N+]1=C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 9/20 0.72
BLM P54132 1/20 0.71
MLNR O43193 1/20 0.70
NR1I2 O75469 1/20 0.70
PGR P06401 1/20 0.70
ADRB1 P08588 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CHRM1 P11229 1/20 0.70
DRD2 P14416 1/20 0.70
ADRA2B P18089 1/20 0.70
ADRA2C P18825 1/20 0.70
CHRM3 P20309 1/20 0.70
CNR1 P21554 1/20 0.70
DRD1 P21728 1/20 0.70
TBXA2R P21731 1/20 0.70
SLC6A2 P23975 1/20 0.70
HRH2 P25021 1/20 0.70
HTR2C P28335 1/20 0.70
BDKRB2 P30411 1/20 0.70
ADORA1 P30542 1/20 0.70

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
SCHEMBL19130572 1.00 PRMT1 (0.72) PRMT1BLMMLNRNR1I2PGR
SCHEMBL14597388 0.97 BLM (0.75) PRMT1BLMMLNRNR1I2PGR
SCHEMBL13657407 0.97 BLM (0.75) PRMT1BLMMLNRNR1I2PGR
Bromide SCHEMBL31621175 0.96 BLM (0.74) PRMT1BLMMLNRNR1I2PGR
SCHEMBL17445527 0.96 BLM (0.76) PRMT1BLMMLNRNR1I2PGR
SCHEMBL24968104 0.95 PRMT1 (0.69) PRMT1BLMMLNRNR1I2PGR
SCHEMBL17694081 0.95 PRMT1 (0.80) PRMT1BLMMLNRNR1I2PGR
SCHEMBL17563488 0.95 PRMT1 (0.72) PRMT1BLMMLNRNR1I2PGR
SCHEMBL19632961 0.93 BLM (0.72) PRMT1BLMMLNRNR1I2PGR
SCHEMBL71573 0.93 PRMT1 (0.82) PRMT1BLMMLNRNR1I2PGR

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
US-9416276-B2 Method for producing contrast agent CANON KABUSHIKI KAISHA (JP) 2016-08-16 US disclosed
US-20150126749-A1 METHOD FOR PRODUCING CONTRAST AGENT CANON KABUSHIKI KAISHA (JP) 2015-05-07 US disclosed