SCHEMBL30060641

SCHEMBL30060641

N[C@]1(C(=O)O)CCCc2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
GRM1 Q13255 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 1/20 0.52
ALOX15 P16050 1/20 0.52
GRM2 Q14416 1/20 0.52
RAD52 P43351 1/20 0.50
KDM1A O60341 2/20 0.42
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
BACE1 P56817 4/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL24781342 1.00 KDM4E (0.56) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL17605162 0.91 KDM4E (0.68) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL29802007 0.91 KDM4E (0.68) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL17604912 0.91 KDM4E (0.68) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL7405059 0.82 KDM4E (0.83) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL23976461 0.82 KDM4E (0.56) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL9178817 0.78 KDM1A (0.56) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL60004 0.78 RAD52 (0.55) KDM4EMAPTCYP2C19ALDH1A1POLB
Hydrochloric Acid SCHEMBL11149959 0.76 RAD52 (0.53) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL7406173 0.74 KDM4E (0.66) KDM4EMAPTCYP2C19ALDH1A1POLB

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
CN-115485275-A Compounds and compositions that inhibit HIF 2-alpha activity and methods of use thereof 诺华股份有限公司 2022-12-16 CN disclosed