SCHEMBL30106397

SCHEMBL30106397

Brc1ccccc1-c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 6/20 0.46
PIK3CA P42336 6/20 0.46
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43

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
SCHEMBL5102269 1.00 PIK3R1 (0.46) PIK3R1PIK3CAMAOBMAOAALDH1A1
SCHEMBL11398832 0.74 ALDH1A1 (0.44) MAOBALDH1A1MAPK1POLBMEN1
SCHEMBL26652814 0.74 PIK3R1 (0.47) PIK3R1PIK3CAALDH1A1POLBMEN1
SCHEMBL23781629 0.74 CYP1A2 (0.50) PIK3R1PIK3CAALDH1A1MAPK1POLB
SCHEMBL26259380 0.73 KDM4E (0.48) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL26259566 0.73 POLB (0.48) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL7116127 0.73 KDM4E (0.51) PIK3R1PIK3CAALDH1A1MAPK1POLB
SCHEMBL397270 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL2459563 0.73 KDM4E (0.43) MAOBALDH1A1MAPK1POLBMEN1
SCHEMBL8658064 0.73 MEN1 (0.56) PIK3R1PIK3CAALDH1A1POLBMEN1

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
CN-116082285-B Aromatic amine organic compound and organic electroluminescent device prepared from same 江苏三月科技股份有限公司 2025-01-14 CN disclosed
CN-116082285-A Aromatic amine organic compound and organic electroluminescent device prepared from same 江苏三月科技股份有限公司 2023-05-09 CN disclosed
CN-110799514-B Silole and germacyclopentadiene fused ring photochromic compounds 光学转变有限公司 2023-01-31 CN disclosed