SCHEMBL11484148

SCHEMBL11484148

N=CC(C=O)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 4/20 0.35
HIF1A Q16665 2/20 0.35
LMNA P02545 2/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
IDO2 Q6ZQW0 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL2558458 0.87 ACP3 (0.41) ACP3TDP1ALDH1A1MEN1KMT2A
SCHEMBL7727749 0.74 ACP3 (0.41) ACP3TDP1ALDH1A1MEN1KMT2A
SCHEMBL7987419 0.72 TSHR (0.42) ACP3TDP1ALDH1A1MEN1KMT2A
SCHEMBL38142 0.71 ACP3 (0.39) ACP3TDP1ALDH1A1MEN1KMT2A
SCHEMBL22445608 0.71 ACP3 (0.39) ACP3TDP1ALDH1A1MEN1KMT2A
SCHEMBL4840134 0.71 ACP3 (0.43) ACP3TDP1ALDH1A1MEN1KMT2A
SCHEMBL7038606 0.71 ADRB2 (0.42) ACP3TDP1ALDH1A1MEN1KMT2A
SCHEMBL11470444 0.70 CYP2D6 (0.41) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL17749156 0.69 ADRB2 (0.41) ACP3TDP1ALDH1A1MEN1KMT2A
SCHEMBL1515735 0.68 ACP3 (0.49) ACP3TDP1ALDH1A1MEN1KMT2A

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
US-4209621-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1980-06-24 US disclosed