SCHEMBL29893183

SCHEMBL29893183

COC(=O)c1ccc2c(c1)[nH]c(=O)c1ccnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
CSNK2A1 P68400 1/20 0.50
CREBBP Q92793 1/20 0.45
PIK3CA P42336 2/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 2/20 0.43
KIF11 P52732 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
DYRK1A Q13627 1/20 0.43
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSMB8 P28062 1/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL31386725 1.00 PARP1 (0.50) PARP1CSNK2A1CREBBPPIK3CAALDH1A1
SCHEMBL29203506 0.84 PARP1 (0.46) PARP1CSNK2A1PIK3CAALDH1A1KDM4E
SCHEMBL31386916 0.79 PARP1 (0.47) PARP1CSNK2A1CREBBPALDH1A1KDM4E
SCHEMBL31386715 0.79 PARP1 (0.47) PARP1CSNK2A1CREBBPALDH1A1KDM4E
SCHEMBL31271560 0.78 PARP1 (0.48) PARP1CSNK2A1CREBBPALDH1A1KDM4E
SCHEMBL30577717 0.78 PARP1 (0.48) PARP1CSNK2A1CREBBPALDH1A1KDM4E
SCHEMBL30576717 0.76 DAO (0.47) ALDH1A1KDM4EHSD17B10KMT2AHPGD
SCHEMBL29078234 0.76 DAO (0.47) ALDH1A1KDM4EHSD17B10KMT2AHPGD
SCHEMBL7980590 0.76 PARP1 (0.52) PARP1CSNK2A1CREBBPALDH1A1KDM4E
SCHEMBL29892956 0.76 PARP1 (0.52) PARP1CSNK2A1CREBBPALDH1A1KDM4E

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
EP-4392425-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2024-07-03 EP disclosed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2023025307-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) 2023-03-02 WO disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed