SCHEMBL20139758

SCHEMBL20139758

COc1ccc2[nH]c3c(Cl)nc(Cc4ccccc4)nc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
BCHE P06276 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL31219102 0.79 KDM4E (0.67) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL8689043 0.75 KDM4E (0.54) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL6825023 0.71 KDM4E (1.00) KDM4EPOLBALDH1A1HPGDLMNA
SCHEMBL10444002 0.69 MTNR1A (0.67) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL7851037 0.67 DHPS (0.52) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7916731 0.66 GRIN1 (0.68) KDM4EPOLBALDH1A1TP53GAA
SCHEMBL31232971 0.66 BCHE (0.65) KDM4EPOLBALDH1A1HPGDBCHE
SCHEMBL31451634 0.66 KDM4E (0.58) KDM4EPOLBALDH1A1HPGDBCHE
SCHEMBL10443687 0.66 LOXL2 (0.63) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL13227175 0.65 ALDH1A1 (0.52) KDM4EALDH1A1HPGDTP53GAA

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
EP-3538529-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2019-09-18 EP disclosed
WO-2018087389-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2018-05-17 WO disclosed