SCHEMBL441217

SCHEMBL441217

Cc1cc(Cl)c2ncc(Cl)c(N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
RAD52 P43351 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.34
F2RL3 Q96RI0 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MAPT P10636 2/20 0.31
PLG P00747 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
SCHEMBL437457 0.87 KDM4E (0.45) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL437542 0.84 KDM4E (0.33) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL436601 0.84 KMT2A (0.33) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL440869 0.81 BCHE (0.46) KDM4EALDH1A1HTTHAVCR2MAPT
SCHEMBL436971 0.79 HAVCR2 (0.61) KDM4EKMT2ASMN1; SMN2HTTLMNA
SCHEMBL439801 0.77 ACHE (0.37) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL439580 0.76 BCHE (0.40) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL438821 0.74 KMT2A (0.55) KDM4EALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL440082 0.73 LMNA (0.47) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL10008628 0.73 NR4A2 (0.56) KDM4EALDH1A1KMT2ASMN1; SMN2HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed