SCHEMBL4980717

SCHEMBL4980717

Cc1ccc2c(c1)C(C)(C)C1(C=Nc3c(ccc4cnccc34)O1)N2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KDM4E B2RXH2 4/20 0.59
THRB P10828 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALOX12 P18054 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 1/20 0.59
LMNA P02545 3/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
RECQL P46063 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL9868283 0.92 MAPT (0.59) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL3161042 0.89 MAPT (0.58) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL3162588 0.89 MAPT (0.58) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL3148290 0.89 MAPT (0.58) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL4002922 0.89 MAPT (0.58) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL3158374 0.87 MAPT (0.67) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL29715802 0.87 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL4620865 0.87 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL3164187 0.87 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL3154813 0.87 MAPT (0.55) MAPTKDM4ETHRBSMN1; SMN2ALOX12

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
US-7351362-B2 Photochromic material THE PILOT INK CO., LTD. (JP) 2008-04-01 US disclosed
US-20050012081-A1 Photochromic material THE PILOT INK CO., LTD. 2005-01-20 US disclosed