SCHEMBL20869135

SCHEMBL20869135

CCOCC(N)c1cc(Br)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL20855556 0.87 KDM4E (0.43) TSHRSMN1; SMN2GLAKDM4EGAA
SCHEMBL7347046 0.79 ALDH1A1 (0.42) TSHRKDM4EALDH1A1HTTKMT2A
SCHEMBL20855668 0.78 ADRA2A (0.40) KDM4EGAAMAPTRAB9ANPC1
SCHEMBL8324844 0.77 TSHR (0.43) TSHRSMN1; SMN2GLAKDM4EGAA
SCHEMBL143912 0.76 CYP2D6 (0.49) KDM4EADRA2AADRA1ATDP1LMNA
SCHEMBL20855486 0.76 CYP2D6 (0.49) KDM4EADRA2AADRA1ATDP1LMNA
SCHEMBL20855585 0.76 ADRA2A (0.38) TSHRSMN1; SMN2GLAKDM4EGAA
SCHEMBL6773702 0.76 ALDH1A1 (0.43) SMN1; SMN2KDM4EMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL20855876 0.75 MEN1 (0.50) KDM4EADRA2AADRA1ATDP1LMNA
Hydrochloric Acid SCHEMBL3538526 0.75 MEN1 (0.50) KDM4EADRA2AADRA1ATDP1LMNA

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-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 — — WO disclosed
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