SCHEMBL9970828

SCHEMBL9970828

Cc1[nH]c2c(OCCN3CCN(CCO)CC3)ccc(C)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
P2RY12 Q9H244 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 3/20 0.39
HTR1A P08908 2/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL9964983 0.88 LMNA (0.43) HTR7HTTLMNAP2RY12SMN1; SMN2
SCHEMBL9938294 0.78 NOS3 (0.42) P2RY12SMN1; SMN2TDP1KDM4EKMT2A
SCHEMBL18975382 0.77 KDM4E (0.43) SMN1; SMN2TDP1KDM4EHTR1AKMT2A
SCHEMBL9964989 0.77 SMN1; SMN2 (0.47) HTTSMN1; SMN2TDP1KDM4EKMT2A
SCHEMBL9964980 0.76 SMN1; SMN2 (0.49) HTTSMN1; SMN2TDP1KDM4EKMT2A
SCHEMBL9964981 0.74 POLB (0.48) P2RY12SMN1; SMN2POLB
SCHEMBL9970829 0.72 KDM4E (0.46) HTR7SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL9964962 0.70 KDM4E (0.45) HTTKDM4EKMT2APOLBMEN1
SCHEMBL9965014 0.67 SMN1; SMN2 (0.37) HTTSMN1; SMN2TDP1KDM4EKMT2A
SCHEMBL9965008 0.67 SMN1; SMN2 (0.44) HTTSMN1; SMN2TDP1KDM4EKMT2A

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
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed