SCHEMBL6562364

SCHEMBL6562364

N#Cc1ccc(CCN[C]=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.50
KCNH2 Q12809 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.47
CNR1 P21554 1/20 0.47
CYP2A6 P11509 1/20 0.45
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
LSS P48449 2/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
CYP19A1 P11511 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL517815 0.80 LOXL2 (0.61) KCNJ1KCNH2CA12CA1CA2
SCHEMBL7234638 0.79 CA12 (0.58) KCNJ1KCNH2CA12CA1CA2
SCHEMBL1004267 0.76 LOXL2 (0.64) KCNJ1KCNH2CA12CA2CA9
SCHEMBL2701813 0.76 TMEM97 (0.55) CA1CA2MAPT
SCHEMBL350048 0.76 TAAR1 (0.55) CA12CA1CA2CA4HPGD
SCHEMBL6562213 0.76 ALDH1A1 (0.50) CA12CA1CA2CA9CNR1
SCHEMBL6561077 0.76 TAAR1 (0.55) CA12CA1CA2CA4CA9
SCHEMBL5193367 0.76 LOXL2 (0.67) KCNJ1KCNH2CA12CA1CA2
SCHEMBL21541009 0.76 LOXL2 (0.50) KCNJ1KCNH2CA12CA1CA2
SCHEMBL6246125 0.76 LOXL2 (0.50) KCNJ1KCNH2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed