SCHEMBL442131

SCHEMBL442131

Cc1cc(Br)c2nc(C)cc(N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.45
NCF1 P14598 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PRNP P04156 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL438758 0.85 EGFR (0.49) NR4A2NCF1NOS3NOS1NOS2
SCHEMBL17506377 0.81 HTT (0.42) NOS3NOS1NOS2KDM4ETDP1
SCHEMBL436731 0.81 KDM4E (0.56) NR4A2NCF1NOS3NOS1NOS2
SCHEMBL440270 0.78 NR4A2 (0.62) NR4A2NCF1NOS3NOS1NOS2
SCHEMBL437498 0.77 NOS2 (0.50) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL439824 0.76 NR4A2 (0.65) NR4A2NCF1KDM4ETDP1HTT
SCHEMBL439581 0.76 ACHE (0.51) NCF1KDM4ETDP1KMT2AALDH1A1
SCHEMBL442077 0.74 NR4A2 (0.45) NR4A2NCF1KDM4ETDP1KMT2A
SCHEMBL438193 0.73 NR4A2 (0.51) NR4A2NCF1KDM4ETDP1KMT2A
SCHEMBL439148 0.73 NR4A2 (0.40) NR4A2NCF1NOS3NOS1NOS2

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