SCHEMBL16658997

SCHEMBL16658997

CC(C)(C)C(c1cccn1-c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
NOTUM Q6P988 1/20 0.34
CYP1A2 P05177 2/20 0.33
COMT P21964 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL12040840 0.77 ATM (0.45) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL10621895 0.73 ATM (0.42) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL12534008 0.72 ATM (0.41) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL12769723 0.71 ATM (0.44) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL9529824 0.69 ATM (0.42) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL5858771 0.68 ATM (0.38) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL1127502 0.67 ATM (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL289208 0.67 ATM (0.40) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL28914884 0.67 ATM (0.40) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL28612089 0.65 ATM (0.39) ATMALDH1A1MAPTMEN1KMT2A

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-20150111337-A1 PHENANTHRO[9,10-B]FURAN POLYMERS AND SMALL MOLECULES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2015-04-23 US disclosed
US-20150111337-A1 PHENANTHRO[9,10-B]FURAN POLYMERS AND SMALL MOLECULES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2015-04-23 US disclosed