SCHEMBL29000643

SCHEMBL29000643

[c]1cc2ccc(OCc3cccnc3)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.48
F10 P00742 1/20 0.48
PRKDC P78527 3/20 0.47
IKBKB O14920 1/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
MAPK1 P28482 2/20 0.43
MAOA P21397 2/20 0.43
DYRK1A Q13627 1/20 0.43
CYP3A4 P08684 1/20 0.43
F2RL3 Q96RI0 1/20 0.42
GPR132 Q9UNW8 2/20 0.41
CSF1R P07333 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL17541128 0.90 F9 (0.46) F9F10PRKDCIKBKBBRD4
SCHEMBL28244529 0.78 ALOX5 (0.67) F9F10PRKDCIKBKBHTR1A
SCHEMBL31094212 0.76 F9 (0.52) F9F10PRKDCIKBKBBRD4
SCHEMBL7832381 0.75 CYP11B2 (0.57) F9F10HTR1ADRD2MAPK1
SCHEMBL28048524 0.75 MAPK1 (0.64) F9F10IKBKBHTR1ADRD2
SCHEMBL28011530 0.74 MAPK1 (0.64) F9F10HTR1ADRD2MAPK1
SCHEMBL17540978 0.74 MRGPRX4 (0.57) F9F10PRKDCIKBKBMAPK1
SCHEMBL17338669 0.72 ALOX5 (0.58) MAOACYP3A4MEN1NPC1CA12
SCHEMBL30402387 0.72 KDM4E (0.58) PRKDCIKBKBMAPK1CYP3A4F2RL3
SCHEMBL17544048 0.72 KDM4E (0.58) PRKDCIKBKBMAPK1CYP3A4F2RL3

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-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
CN-107108534-B Probes for imaging huntingtin CHDI基金会股份有限公司 2023-05-09 CN disclosed