SCHEMBL436945

SCHEMBL436945

Cc1cc(C)c2ncc(Br)c(N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
RAD52 P43351 2/20 0.45
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
HPGD P15428 1/20 0.44
PARP1 P09874 2/20 0.41
MAPT P10636 2/20 0.39
XBP1 P17861 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.35
UHRF1 Q96T88 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL438361 0.87 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL435828 0.86 ACHE (0.39) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL441685 0.83 ACHE (0.35) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL436601 0.83 KMT2A (0.33) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL437457 0.79 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL441701 0.75 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL437086 0.73 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL437542 0.72 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL442244 0.71 ACHE (0.43) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL437599 0.71 CCR1 (0.42) KDM4EALDH1A1KMT2APOLBLMNA

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