SCHEMBL18596019

SCHEMBL18596019

Bc1cc2[nH]c(C(C)C)nc2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.41
FABP6 P51161 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
PSMD14 O00487 1/20 0.38
MMP2 P08253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL12724845 0.85 KDM4E (0.62) KDM4EHSD17B10LMNACYP1A2FABP6
SCHEMBL5989926 0.79 KDM4E (0.56) KDM4EHSD17B10LMNACYP1A2FABP6
SCHEMBL12938095 0.79 KDM4E (0.69) KDM4EHSD17B10LMNACYP1A2MEN1
SCHEMBL20643778 0.79 KDM4E (0.51) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL16599647 0.76 KDM4E (0.56) KDM4EHSD17B10LMNACYP1A2FABP6
SCHEMBL5990707 0.76 KDM4E (0.56) KDM4EHSD17B10LMNACYP1A2FABP6
SCHEMBL17300677 0.76 HSD17B10 (0.56) KDM4EHSD17B10LMNACYP1A2FABP6
SCHEMBL13542756 0.76 KDM4E (0.56) KDM4EHSD17B10LMNACYP1A2FABP6
SCHEMBL12965870 0.75 KDM4E (0.59) KDM4EHSD17B10LMNACYP1A2MEN1
SCHEMBL19911168 0.74 HSD17B10 (0.62) KDM4EHSD17B10LMNACYP1A2MEN1

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-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed