SCHEMBL8429883

SCHEMBL8429883

CCOC(=O)c1csc2cc(OC)c(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.49
▸ LMNA P02545 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 3/20 0.43
▸ KCNK3 O14649 1/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ PRKCZ Q05513 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ MAPT P10636 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
SCHEMBL8431536 0.82 MAPK8 (0.40) STING1LMNAALDH1A1KCNK3DPP4
SCHEMBL8431527 0.82 LCK (0.50) STING1L3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL31182028 0.77 ALDH1A1 (0.53) LMNAALDH1A1TSHRMAPT
SCHEMBL31182027 0.77 ALDH1A1 (0.53) LMNAALDH1A1TSHRMAPT
SCHEMBL31264481 0.77 SMN1; SMN2 (0.50) LMNAL3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL1096821 0.77 SMN1; SMN2 (0.50) LMNAL3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL1324265 0.76 ALDH1A1 (0.50) LMNAL3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL24683229 0.75 MAPT (0.56) STING1LMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL8427825 0.74 ALDH1A1 (0.51) LMNAL3MBTL1ALDH1A1KMT2ADPP4
SCHEMBL21072735 0.73 KDM4E (0.53) STING1LMNAL3MBTL1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922733-A ADMINISTERING TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY, DEPRESSION, EPILEPSY, OBSESSIVE COMPULSIVE DISORDERS, ANOREXIA, BULIMIA AND ALZHEIMER'S DISEASE SMITHKLINE BEECHAM P.L.C. (GB) 1999-07-13 — — US disclosed
EP-0770076-A1 BENZOCONDENSED FIVE MEMBERED HETEROCYCLE CARBOXAMIDES AS 5HT2B/2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-05-02 — — EP disclosed
WO-1996002537-A1 BENZOCONDENSED FIVE MEMBERED HETEROCYCLE CARBOXAMIDES AS 5HT2B/2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-02-01 — — WO disclosed
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