SCHEMBL28872199

SCHEMBL28872199

CC(C)(C)c1ccnc(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
KDM4E B2RXH2 1/20 0.31
CYP2A6 P11509 1/20 0.30
LMNA P02545 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL803084 0.79 SYK (0.39) SYKKDM4ECYP2A6LMNANPC1
SCHEMBL1337601 0.77 ADRB1 (0.43) SYK
SCHEMBL18366977 0.77 AR (0.33)
SCHEMBL30587559 0.77 AR (0.33)
SCHEMBL279200 0.74 SYK (0.39) SYKCYP2A6LMNANPC1RAB9A
SCHEMBL21201242 0.74 MAP4K4 (0.36) SYKKDM4ECYP2A6LMNANPC1
SCHEMBL31525410 0.73 SYK (0.38) SYKCYP2A6LMNANPC1RAB9A
SCHEMBL21719185 0.73 SYK (0.38) SYKCYP2A6LMNANPC1RAB9A
SCHEMBL179501 0.73 NUDT1 (0.48) SYK
SCHEMBL17586505 0.73 SYK (0.38) SYKCYP2A6LMNANPC1RAB9A

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-109715642-A PROCESS FOR PRODUCTION OF BINUCLEAR as the illuminator in organic electroluminescence device 默克专利有限公司 2019-05-03 CN disclosed
CN-109641926-A Double-core and three core metal complexes for the tripodia sexadentate ligand comprising two interconnection in electroluminescent device 默克专利有限公司 2019-04-16 CN disclosed