SCHEMBL9820409

SCHEMBL9820409

NNc1ccnc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
HTR1A P08908 3/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
FERMT2 Q96AC1 1/20 0.36
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 2/20 0.35
DHFR P00374 1/20 0.35
TGFBR1 P36897 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL15268003 0.79 SLC40A1 (0.43) MAPTKDM4ELMNAHTR1AADRA1D
SCHEMBL248690 0.75 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL13230455 0.75 IDO1 (0.44) MAPTKDM4ELMNAHTR1AADRA1D
SCHEMBL15912059 0.75 IDO1 (0.57) MAPTTDP1KDM4ELMNAHTR1A
SCHEMBL9820405 0.74 ABCG2 (0.37) MAPTALDH1A1ADORA3MAOAPTGS1
Hydrochloric Acid SCHEMBL696334 0.73 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
Hydrochloric Acid SCHEMBL695985 0.73 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2478157 0.73 MEN1 (0.57) MAPTALDH1A1TDP1KDM4ELMNA
SCHEMBL30504562 0.73 MEN1 (0.57) MAPTALDH1A1TDP1KDM4ELMNA
SCHEMBL4251046 0.73 MEN1 (0.60) NPC1MEN1KMT2AHIF1A

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
EP-0275520-B1 SUBSTITUTED 1,8-NAPHTHYRIDINE DERIVATIVES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1991-12-11 EP disclosed