SCHEMBL3241311

SCHEMBL3241311

CCCCc1ccc(Cc2nc(-c3ccc(C)cc3)c[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HSD11B1 P28845 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ NFKB1 P19838 3/20 0.40
▸ NFKB2 Q00653 3/20 0.40
▸ RELA Q04206 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CTRC Q99895 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ TLR8 Q9NR97 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
SCHEMBL3237275 0.92 MAPT (0.47) NPC1RAB9AATMSMN1; SMN2TP53
SCHEMBL27835410 0.90 HSD11B1 (0.49) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL28788364 0.89 NPC1 (0.43) NPC1RAB9AATMSMN1; SMN2TP53
SCHEMBL27815852 0.89 HSD11B1 (0.50) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL27835404 0.85 HSD11B1 (0.49) NPC1RAB9AATMSMN1; SMN2MAPT
SCHEMBL26111266 0.85 HSD11B1 (0.49) NPC1RAB9AATMSMN1; SMN2MAPT
SCHEMBL27835288 0.85 HSD11B1 (0.49) NPC1RAB9AATMSMN1; SMN2MAPT
SCHEMBL27815847 0.84 HSD11B1 (0.50) TP53MAPTHSD11B1RARBALDH1A1
SCHEMBL27835295 0.84 HSD11B1 (0.50) TP53MAPTHSD11B1RARBALDH1A1
SCHEMBL3234188 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53MAPT

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-2010024472-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 — — WO disclosed
Send feedback