SCHEMBL11056394

SCHEMBL11056394

NNc1c(Br)cc(C(=O)CO)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGG1 O15527 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GSK3B P49841 2/20 0.32
▸ TTR P02766 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALPG P10696 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 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
SCHEMBL27915966 0.75 TTR (0.58) ALDH1A1TTRLMNAHPGDPOLB
SCHEMBL28210815 0.71 PTPN1 (0.50) KDM4EALDH1A1TTRLMNAHPGD
SCHEMBL2070727 0.70 GSK3B (0.38) OGG1KDM4EALDH1A1GSK3BHPGD
Oxalic Acid SCHEMBL20984079 0.69 AKR1C4 (0.41) OGG1KDM4EALDH1A1TTRLMNA
SCHEMBL29379505 0.67 ESR1 (0.49) HPGDALPLMAPTALPG
SCHEMBL11069558 0.67 PARP1 (0.34) OGG1KDM4EALDH1A1GSK3BLMNA
SCHEMBL10991781 0.67 CYP3A4 (0.41) GAAMAPTHTTTDP1
SCHEMBL12837765 0.66 KDM4E (0.42) KDM4EALDH1A1LMNATDP1
SCHEMBL14225090 0.66 KDM4E (0.38) KDM4EALDH1A1LMNATDP1
Sulfuric Acid SCHEMBL20984761 0.65 CYP3A4 (0.37) KDM4EALDH1A1LMNAGAAMAPT

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
US-4479899-A OF POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1984-10-30 — — US disclosed
US-4452609-A Dyeing red with 2,6-dicyano-2'-sulfonamido-4'-amino-azo-benzenes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-05 — — US disclosed
Send feedback