SCHEMBL9503741

SCHEMBL9503741

COC(=O)c1ccc(-c2ncc[nH]2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
VCAM1 P19320 1/20 0.51
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 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
SCHEMBL30863327 0.82 VCAM1 (0.66) ALDH1A1KDM4EVCAM1HPGDNPSR1
SCHEMBL1485475 0.81 KDM4E (0.68) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL1485283 0.80 KDM4E (0.67) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL31238771 0.79 KDM4E (0.65) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL16862868 0.79 KDM4E (0.65) ALDH1A1KDM4EPOLBMAPK1
SCHEMBL9502193 0.79 KDM4E (0.65) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL16862898 0.79 KDM4E (0.65) ALDH1A1KDM4E
SCHEMBL8536432 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPOLBMAPK1
SCHEMBL31521365 0.79 KDM4E (0.65) ALDH1A1KDM4ELMNA
SCHEMBL17197998 0.78 VCAM1 (0.61) ALDH1A1KDM4EVCAM1HPGDNPSR1

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
CN-117980307-A Substituted tricyclic compounds as PARP inhibitors and application thereof 上海瑛派药业有限公司 2024-05-03 CN disclosed
WO-2023025307-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) 2023-03-02 WO disclosed
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed