SCHEMBL3124010

SCHEMBL3124010

c1cc(-c2nccs2)c2ccncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.49
MAPK10 P53779 3/20 0.49
MAPK9 P45984 2/20 0.49
IKBKE Q14164 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
CYP2A6 P11509 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.42
FEN1 P39748 1/20 0.42
CACNA2D1 P54289 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CNR1 P21554 1/20 0.41

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
1-Naphthalenylthiazole SCHEMBL272929 0.83 RAB9A (0.53) CYP2A6LMNAKDM4ERAB9APDPK1
SCHEMBL6651731 0.82 PRKCZ (0.47) MAPK8MAPK10MAPK9CYP2A6CYP1A2
SCHEMBL26259560 0.80 PDPK1 (0.54) CYP2A6CYP1A2RAB9APDPK1HSP90AA1
SCHEMBL6240424 0.78 LMNA (0.63) IKBKETBK1LMNACYP1A2CYP3A4
SCHEMBL26259717 0.75 HSD17B10 (0.54) MAPK8MAPK10CYP2A6KDM4ERAB9A
SCHEMBL6968376 0.75 KDM4E (0.47) IKBKETBK1CYP2A6LMNACYP1A2
SCHEMBL4722041 0.75 RAB9A (0.49) CYP2A6CYP1A2RAB9APDPK1HSP90AA1
SCHEMBL13537223 0.73 IKBKE (0.54) IKBKETBK1CYP2A6LMNACYP1A2
SCHEMBL26259375 0.73 PDPK1 (0.59) CYP2A6KDM4ERAB9APDPK1HSP90AA1
SCHEMBL19756681 0.73 PDPK1 (0.46) CYP2A6RAB9APDPK1HSP90AA1

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-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed