SCHEMBL25905211

SCHEMBL25905211

CC(C)(O)c1cc2ccccc2cc1-c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
BIRC5 O15392 1/20 0.39
MAPT P10636 6/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
CYP2A6 P11509 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 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
SCHEMBL13828954 0.84 ADORA3 (0.40) MAOBMAOAMAPTRAB9ASMN1; SMN2
SCHEMBL14063307 0.83 PTGS2 (0.43) MAOBMAPTRAB9AMEN1KMT2A
SCHEMBL18311777 0.83 CYP2A6 (0.43) MAOBMAPTRAB9AMEN1KMT2A
SCHEMBL18566667 0.82 TRPV1 (0.40) MAOBMAOAMAPTRAB9ASMN1; SMN2
SCHEMBL25905200 0.81 MAOB (0.42) MAOBMAOABIRC5MAPTRAB9A
SCHEMBL27865186 0.79 HSD17B1 (0.46)
SCHEMBL24730411 0.77 PGR (0.46) MAOBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24730422 0.77 PGR (0.46) MAOBMAOAMAPTRAB9ASMN1; SMN2
SCHEMBL17852129 0.77 CYP2A6 (0.47) CYP2A6
SCHEMBL16585739 0.73 PTGDR2 (0.43) BIRC5MAPTRAB9ANPC1TSHR

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-2023140529-A1 ORGANIC ELECTRIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-07-27 WO disclosed