SCHEMBL26122002

SCHEMBL26122002

COc1cc(C2OCCO2)c(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.37
HTR2A P28223 6/20 0.37
DRD5 P21918 4/20 0.35
HTR2B P41595 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.34
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL29654713 0.86 HTR2C (0.45) HTR2CHTR2ANPC1RAB9ATP53
SCHEMBL515378 0.86 HTR2C (0.45) HTR2CHTR2ANPC1RAB9ATP53
SCHEMBL18840154 0.82 HTR2A (0.38) HTR2CHTR2ANPC1RAB9ATP53
SCHEMBL1813477 0.81 KDM1A (0.40) KDM1A
SCHEMBL24746334 0.81 HTR2C (0.41) HTR2CHTR2AHTR2BNPC1RAB9A
SCHEMBL30630193 0.81 HTR2C (0.41) HTR2CHTR2AHTR2BNPC1RAB9A
SCHEMBL6711039 0.78 HTR2C (0.56) HTR2CHTR2AHTR2BNPC1RAB9A
SCHEMBL17258826 0.78 HTR2A (0.44) HTR2CHTR2ADRD5KDM1A
SCHEMBL2960423 0.77 LMNA (0.40) HTR2CHTR2ATP53KDM4EALDH1A1
SCHEMBL26120924 0.77 CYP11B1 (0.38) HTR2CHTR2ADRD5HTR2BNPC1

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
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed