SCHEMBL20111796

SCHEMBL20111796

COC(=O)c1cc(Br)cc2[nH]cc(C)c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.51
CREBBP Q92793 1/20 0.42
CHEK1 O14757 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 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
SCHEMBL17970547 0.83 AKR1C3 (0.41) NR4A2GAANOTUMKDM4E
SCHEMBL21419429 0.82 NR4A2 (0.55) NR4A2CREBBPCHEK1
SCHEMBL24330121 0.81 NR4A2 (0.48) NR4A2CREBBPCHEK1MAPTALDH1A1
SCHEMBL23305035 0.80 NR4A2 (0.47) NR4A2CREBBPCHEK1MAPTALDH1A1
SCHEMBL17065792 0.77 NR4A2 (0.44) NR4A2CREBBPCHEK1MAPTALDH1A1
SCHEMBL28795512 0.75 NR4A2 (0.38) NR4A2CREBBPGABRA1GABRB1GABRA3
SCHEMBL1223596 0.75 NR4A2 (0.61) NR4A2CREBBPALDH1A1KDM4E
SCHEMBL29886596 0.75 NR4A2 (0.61) NR4A2CREBBPALDH1A1KDM4E
SCHEMBL1229320 0.72 KDM4E (0.43) NR4A2MAPTALDH1A1GAANOTUM
SCHEMBL1636595 0.72 KDM4E (0.43) NR4A2MAPTALDH1A1GAANOTUM

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
CN-116947856-A EZH2 inhibitor and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-27 CN disclosed
WO-2018081530-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-05-03 WO disclosed