SCHEMBL8106985

SCHEMBL8106985

CCCc1c(N2CCNCC2)c2ccccc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 8/20 0.56
HPGD P15428 7/20 0.56
KDM4E B2RXH2 6/20 0.56
HSD17B10 Q99714 5/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
PARP1 P09874 2/20 0.43
TSHR P16473 2/20 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
SCHEMBL17510042 0.77 PARP1 (0.48) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL14349887 0.74 PDE9A (0.52) PARP1
SCHEMBL10572503 0.74 KDM4E (0.57) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL6050482 0.72 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL29394356 0.72 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL5307307 0.72 KDM4E (1.00) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15338397 0.71 RAB9A (0.77) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29722594 0.71 RAB9A (0.77) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28274604 0.69 HTR2A (0.51) ALDH1A1HPGD
SCHEMBL19297202 0.68 HTR6 (0.49) ALDH1A1HPGDKDM4EHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121286-A ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, FOR TREATING ASTHMA; COMPOUNDS SUCH AS 6-METHOXY-3-(2-(3-(2-QUINOLYLMETHOXY)BENZYL)TETRAZOLYL)QUINOLIN-2-ONE KOWA CO., LTD. (JP) 2000-09-19 US disclosed
US-6117886-A EXCELLENT ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, AND IS USEFUL FOR THE PREVENTION AND TREATMENT OF, FOR EXAMPLE, ASTHMA. KOWA CO., LTD. (JP) 2000-09-12 US disclosed