SCHEMBL28095147

SCHEMBL28095147

CCC(Br)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 7/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SRD5A2 P31213 1/20 0.48
ELANE P08246 3/20 0.47
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.46
ALPG P10696 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CXCR1 P25024 1/20 0.44

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
SCHEMBL7995537 0.84 SRD5A2 (0.48) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3901508 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDKMT2ASRD5A2
SCHEMBL7708493 0.80 LMNA (0.56) ALDH1A1RAB9ASMN1; SMN2HPGDSRD5A2
SCHEMBL29170079 0.80 LMNA (0.64) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL4762195 0.80 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2HPGDSRD5A2
SCHEMBL7708494 0.80 LMNA (0.56) ALDH1A1RAB9ASMN1; SMN2HPGDSRD5A2
SCHEMBL29057338 0.79 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2HPGDSRD5A2
SCHEMBL677887 0.79 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL28095368 0.79 HKDC1 (0.41) ALDH1A1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL4541365 0.79 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1

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
CN-104860808-B Two fluorine monomers containing tetraphenyl ethylene group and be used for preparing poly aryl ether ketone polymer 吉林大学 2016-09-07 CN disclosed