SCHEMBL25166146

SCHEMBL25166146

Cc1c(N)cc2c(c1Br)OCC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2A6 P11509 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL25166448 0.89 KDM4E (0.32) ALDH1A1MAPT
SCHEMBL25166010 0.80 PARP1 (0.42) PARP1CYP2A6
SCHEMBL25166014 0.80 PARP1 (0.36) PARP1
SCHEMBL30329719 0.78 MAPT (0.40) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29284941 0.76 PARP1 (0.36) PARP1HTR2AHTR2CHTR2BCYP2A6
SCHEMBL13705917 0.76 PARP1 (0.34) PARP1CYP2A6
SCHEMBL30329872 0.74 CYP1A2 (0.50) PARP1ALDH1A1CYP1A2CYP2A6MAPT
SCHEMBL13021641 0.73 PARP1 (0.40) PARP1CYP2A6
SCHEMBL2464027 0.73 PARP1 (0.39) PARP1ALDH1A1ALOX15CYP2A6LMNA
SCHEMBL8118010 0.73 GAA (0.39) PARP1MAPT

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-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
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed