SCHEMBL30329655

SCHEMBL30329655

O=[N+]([O-])c1cc2c(c(Br)c1F)OCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
MAPT P10636 10/20 0.35
ALDH1A1 P00352 6/20 0.35
PKM P14618 1/20 0.33
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HIF1A Q16665 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL30330180 0.91 MAPT (0.37) PARP1MAPTALDH1A1PKMCYP1A2
SCHEMBL28022683 0.86 PARP1 (0.41) PARP1MAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL30329872 0.82 CYP1A2 (0.50) PARP1MAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL30329748 0.82 GPR35 (0.37) PARP1MAPTALDH1A1CYP1A2MAPK1
SCHEMBL30329662 0.80 MAPT (0.49) MAPTALDH1A1PKMCYP1A2SMN1; SMN2
SCHEMBL29284840 0.77 PARP1 (0.39) PARP1MAPTALDH1A1PKMSMN1; SMN2
SCHEMBL29739713 0.76 PARP1 (0.51) PARP1MAPTALDH1A1CYP1A2MEN1
SCHEMBL6634968 0.76 PARP1 (0.51) PARP1MAPTALDH1A1CYP1A2MEN1
SCHEMBL30330528 0.74 TXNRD1 (0.50) MAPTALDH1A1CYP1A2MEN1POLB
SCHEMBL30330341 0.74 GPR35 (0.35) MAPTALDH1A1CYP1A2MAPK1POLB

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-118647610-A Novel modulators of EHMT1 and EHMT2 and therapeutic uses thereof 探戈医药股份有限公司 2024-09-13 CN disclosed
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed