SCHEMBL25839221

SCHEMBL25839221

O=C1Oc2cccc3c(Br)ccc1c23

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TYMS P04818 7/20 0.53
CYP1B1 Q16678 8/20 0.48
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30517063 1.00 POLB (0.58) POLBMEN1KMT2ATYMSCYP1B1
SCHEMBL29362967 0.85 TYMS (0.61) POLBMEN1KMT2ATYMSCYP1B1
SCHEMBL320954 0.85 TYMS (0.61) POLBMEN1KMT2ATYMSCYP1B1
SCHEMBL18021867 0.80 KDM4E (0.56) POLBMEN1KMT2ACYP1B1ALDH1A1
SCHEMBL29769022 0.80 KDM4E (0.56) POLBMEN1KMT2ACYP1B1ALDH1A1
SCHEMBL200283 0.80 TYMS (0.47) POLBMEN1KMT2ATYMSCYP1B1
SCHEMBL18021873 0.76 KDM4E (0.56) POLBMEN1KMT2ATYMSCYP1B1
SCHEMBL30496683 0.76 KDM4E (0.56) POLBMEN1KMT2ATYMSCYP1B1
SCHEMBL17727980 0.76 AHR (0.46) POLBMEN1KMT2ACYP1B1ALDH1A1
SCHEMBL24277323 0.75 AHR (0.47) CYP1B1KDM4ECYP1A2

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
WO-2023125877-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed