SCHEMBL9705061

SCHEMBL9705061

CCCCc1cc(-c2ccccc2)nc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
CTRC Q99895 1/20 0.51
HSD11B1 P28845 2/20 0.50
PSMB5 P28074 1/20 0.50
ADORA1 P30542 3/20 0.48
TLR8 Q9NR97 2/20 0.48
CTSK P43235 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 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
SCHEMBL16704414 0.84 DHODH (0.55) DHODHCTRCHSD11B1PSMB5ADORA1
SCHEMBL24755295 0.82 HSD11B1 (0.59) DHODHCTRCHSD11B1PSMB5ADORA1
SCHEMBL12369304 0.81 ASIC3 (0.47) DHODHHSD11B1PSMB5GPR84KMT2A
SCHEMBL9704527 0.80 SMN1; SMN2 (0.51) ADORA1CTSKADORA3ADORA2AMEN1
SCHEMBL16383499 0.79 DHODH (0.51) DHODHCTRCHSD11B1PSMB5MEN1
SCHEMBL27407916 0.79 HSD11B1 (0.50) HSD11B1PSMB5GPR84RAB9A
SCHEMBL11513697 0.79 HSD11B1 (0.50) HSD11B1PSMB5GPR84RAB9A
SCHEMBL12628232 0.77 HSD11B1 (0.56) DHODHCTRCHSD11B1ADORA1ADORA3
SCHEMBL27917367 0.76 DHODH (0.58) DHODHADORA1TLR8ADORA3
SCHEMBL12551317 0.76 MEN1 (0.54) ADORA1ADORA2AMEN1KMT2ARAB9A

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
EP-0463492-A1 2,6-Diarylpyridin derivatives BAYER AG (DE) 1992-01-02 EP claimed
EP-0463492-A1 2,6-Diarylpyridin derivatives BAYER AG (DE) 1992-01-02 EP disclosed