SCHEMBL6606580

SCHEMBL6606580

c1ccc(CN2CCc3nc4ccccc4cc3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
DHFR P00374 1/20 0.59
FAAH O00519 2/20 0.51
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
C5AR1 P21730 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL11831800 0.92 MEN1 (0.85) MEN1KMT2ANPC1RAB9ADHFR
Hydrochloric Acid SCHEMBL11843324 0.89 KMT2A (0.80) MEN1KMT2ANPC1RAB9ADHFR
Hydrochloric Acid SCHEMBL11833810 0.81 MEN1 (0.68) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL17985055 0.81 KMT2A (0.67) MEN1KMT2ANPC1RAB9ADHFR
Hydrochloric Acid SCHEMBL11842546 0.79 MEN1 (0.65) MEN1KMT2ANPC1RAB9AFAAH
SCHEMBL18550404 0.78 KMT2A (0.64) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL29883119 0.77 KMT2A (0.63) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL1038680 0.77 KMT2A (0.63) MEN1KMT2ANPC1RAB9ADHFR
Hydrochloric Acid SCHEMBL31647890 0.76 MEN1 (0.62) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL16220609 0.76 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997462-B1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF NIPPON KAYAKU KK (JP) 2004-12-22 EP disclosed
US-6294547-B1 Naphthyridine deratives or salts thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP disclosed