SCHEMBL19635145

SCHEMBL19635145

CN(CCCBr)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.65
LMNA P02545 1/20 0.61
CARM1 Q86X55 1/20 0.60
PRMT6 Q96LA8 1/20 0.60
PRMT8 Q9NR22 1/20 0.60
MAOB P27338 4/20 0.53
MAOA P21397 1/20 0.53
TSHR P16473 2/20 0.51
TMEM97 Q5BJF2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ACHE P22303 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL21851808 0.92 SIGMAR1 (0.71) SIGMAR1LMNACARM1PRMT6PRMT8
SCHEMBL1088446 0.87 SIGMAR1 (0.74) SIGMAR1LMNACARM1PRMT6PRMT8
Bromide SCHEMBL10673628 0.86 CARM1 (0.62) SIGMAR1LMNACARM1PRMT6PRMT8
Hydrochloric Acid SCHEMBL1087168 0.85 SIGMAR1 (0.71) SIGMAR1LMNACARM1PRMT6PRMT8
SCHEMBL7225346 0.85 SIGMAR1 (0.85) SIGMAR1LMNACARM1PRMT6PRMT8
SCHEMBL29733117 0.85 SIGMAR1 (0.85) SIGMAR1LMNACARM1PRMT6PRMT8
SCHEMBL6028050 0.85 SIGMAR1 (0.61) SIGMAR1LMNACARM1PRMT6PRMT8
SCHEMBL7055109 0.83 CARM1 (0.75) SIGMAR1LMNACARM1PRMT6PRMT8
SCHEMBL2949711 0.82 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8
SCHEMBL12359495 0.82 SIGMAR1 (0.67) SIGMAR1LMNACARM1PRMT6PRMT8

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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed