SCHEMBL16794615

SCHEMBL16794615

O=c1ccccn1-c1ccc(CCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
P2RX3 P56373 1/20 0.43
CA2 P00918 2/20 0.41
VHL P40337 1/20 0.40
ELOC Q15369 1/20 0.40
ELOB Q15370 1/20 0.40
F10 P00742 5/20 0.39
NR1H3 Q13133 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6641850 0.85 VHL (0.57) P2RX3VHLELOCELOBF10
SCHEMBL1640426 0.84 ALDH1A1 (0.43) TDP1P2RX3F10MAPT
SCHEMBL2538719 0.78 F10 (0.39) P2RX3F10ITGB1ITGA4MEN1
SCHEMBL16880726 0.78 F10 (0.41) P2RX3F10ITGB1ITGA4MEN1
SCHEMBL14490265 0.78 MGLL (0.48) F10ITGB1ITGA4MEN1MAPT
SCHEMBL85901 0.78 LOXL2 (0.43) P2RX3CA2F10ITGB1ITGA4
SCHEMBL1675566 0.76 CA2 (0.47) CA2F10ITGB1ITGA4NSD2
SCHEMBL142916 0.75 MEN1 (0.54) TDP1F10NR1H3MEN1MAPT
SCHEMBL143175 0.74 ALDH1A1 (0.54) F10MEN1MAPTKMT2A
SCHEMBL8268510 0.74 F10 (0.43) P2RX3F10

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-3080131-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2016-10-19 EP disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 WO disclosed
CN-102942520-B P38 map kinase inhibitors CHROMA THERAPEUTICS LTD 2015-03-04 CN disclosed