SCHEMBL5227038

SCHEMBL5227038

COc1ccc(-c2cc(N3CCOCC3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.51
ATRIP Q8WXE1 1/20 0.51
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PRKDC P78527 6/20 0.47
PIK3CD O00329 3/20 0.47
PIK3CA P42336 2/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CSNK1D P48730 2/20 0.46
MAPK14 Q16539 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL5227063 0.77 RAB9A (0.63) KDM4EALDH1A1TDP1HSD17B10TP53
SCHEMBL11751124 0.76 TSHR (0.68) KDM4EALDH1A1TDP1HSD17B10TSHR
SCHEMBL9695305 0.75 ALDH1A1 (0.52) ATRATRIPKDM4EALDH1A1HSD17B10
SCHEMBL9695483 0.73 ALDH1A1 (0.61) KDM4EALDH1A1TDP1HSD17B10TSHR
SCHEMBL11485058 0.72 ATR (0.48) ATRATRIPKDM4EALDH1A1TDP1
SCHEMBL11493246 0.71 ATR (0.51) ATRATRIPKDM4EALDH1A1TDP1
SCHEMBL28792675 0.70 PRKDC (0.54) KDM4EALDH1A1PRKDCPIK3CDPIK3CA
SCHEMBL4880606 0.70 KDM4E (0.70) KDM4EALDH1A1TDP1HSD17B10TP53
SCHEMBL2208450 0.69 AKR1C3 (0.68) KDM4EALDH1A1HSD17B10TP53PRKDC
SCHEMBL9548136 0.69 KMT2A (0.74) KDM4EALDH1A1PRKDCHPGDGAA

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