SCHEMBL9842353

SCHEMBL9842353

CCCC1(Br)C=CC(c2ccccc2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.41
MAOA P21397 8/20 0.41
MAOB P27338 8/20 0.41
DRD2 P14416 2/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL10527595 0.88 MMP2 (0.38) KDM1AMAOAMAOB
SCHEMBL8780389 0.87 MMP2 (0.40) KDM1AMAOAMAOBSMN1; SMN2MEN1
SCHEMBL8462340 0.85 KDM1A (0.38) KDM1AMAOAMAOBDRD2DRD1
SCHEMBL7427186 0.77 KDM1A (0.39) KDM1AMAOAMAOBMEN1CYP2C19
SCHEMBL8377636 0.75 KDM1A (0.38) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL7510595 0.75 KDM1A (0.38) KDM1AMAOAMAOBSMN1; SMN2NPSR1
SCHEMBL10599695 0.75 KDM1A (0.32) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL8632114 0.75 KDM1A (0.38) KDM1AMAOAMAOB
SCHEMBL21625021 0.75 KDM1A (0.38) KDM1AMAOAMAOB
SCHEMBL2390258 0.74 HTR2C (0.32) KDM1AMAOAMAOBDRD3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514631-A Synthesis method of high-purity 4-bromo-4' -propyl biphenyl 中国船舶集团有限公司第七一八研究所 2023-08-01 CN disclosed
CN-108129258-B Synthesis process of 4-bromo-4' -propylbiphenyl 上海仁实医药科技有限公司 2021-01-29 CN disclosed
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed