SCHEMBL9351900

SCHEMBL9351900

COC(=O)c1c(N)ccnc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 3/20 0.48
PRKCZ Q05513 1/20 0.48
TP53 P04637 2/20 0.47
GRM6 O15303 1/20 0.47
GRM5 P41594 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL27779234 0.84 CDK5 (0.50) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL19138009 0.82 HTT (0.46) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL14917460 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL27434327 0.81 GRM5 (0.43) GRM5
SCHEMBL27332910 0.80 HTT (0.59) MEN1KMT2AALDH1A1GRM6SMN1; SMN2
SCHEMBL368305 0.80 DHODH (0.47) LMNAHSD17B10HTT
SCHEMBL27610033 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL31184792 0.76 KDM4E (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8325905 0.76 L3MBTL1 (0.46) ALDH1A1LMNAHPGDTP53SMN1; SMN2
SCHEMBL27537308 0.75 MAPT (0.50) MEN1KMT2AALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350755-A Treatment of psoriasis or eczema with naphthyridine derivative SCHERING CORPORATION (US) 1994-09-27 US disclosed
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4628055-A ASTHMA, BRONCHITIS, 1,5,8-AZANAPHTHYRIDINES SCHERING CORPORATION (US) 1986-12-09 US disclosed
US-4492702-A ATIALLERGENS, LUNG DISEASES SCHERING CORPORATION (US) 1985-01-08 US disclosed