SCHEMBL5224988

SCHEMBL5224988

COc1ccc(-c2nnccc2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
BACE1 P56817 1/20 0.47
ACACA Q13085 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
ABL1 P00519 1/20 0.45
ABCB1 P08183 1/20 0.45
BCR P11274 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
SCHEMBL460509 0.84 CSNK1D (0.42) LMNANPC1RAB9ACCNA2CDK2
Ammonia Solution, Strong SCHEMBL28994883 0.82 CSNK1D (0.41) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL23397418 0.79 ALDH1A1 (0.61) ALDH1A1LMNAKDM4ENPSR1TDP1
SCHEMBL5227004 0.77 NPC1 (0.62) ALDH1A1LMNAKDM4ENPSR1TDP1
SCHEMBL28110823 0.76 CCNA2 (0.55) ALDH1A1LMNAKDM4ENPSR1TDP1
SCHEMBL5221958 0.75 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ENPSR1TDP1
SCHEMBL14484701 0.75 MAPT (0.46) KDM4ENPSR1MAPTKMT2AABL1
SCHEMBL11819228 0.74 ABL1 (0.73) ALDH1A1LMNAKDM4ENPSR1TDP1
SCHEMBL10976797 0.74 KDM4E (0.58) ALDH1A1LMNAKDM4ENPSR1TDP1
SCHEMBL10991494 0.74 KDM4E (0.58) ALDH1A1LMNAKDM4ENPSR1TDP1

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-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed