SCHEMBL19675453

SCHEMBL19675453

C=C(c1ccc(N2CCCC2)cc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ ALDH1A1 P00352 7/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ ALOX15 P16050 4/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ TP53 P04637 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 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
SCHEMBL19675273 0.80 HDAC3 (0.35) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL611411 0.79 MAPT (0.53) MAPTALDH1A1NPSR1ALOX15L3MBTL1
SCHEMBL10472733 0.78 ALDH1A1 (0.57) MAPTALDH1A1NPSR1ALOX15L3MBTL1
SCHEMBL15893978 0.78 HIF1A (0.58) MAPTALDH1A1NPSR1ALOX15L3MBTL1
SCHEMBL609043 0.77 ALDH1A1 (0.56) MAPTALDH1A1NPSR1ALOX15L3MBTL1
SCHEMBL611035 0.77 ALDH1A1 (0.56) MAPTALDH1A1NPSR1ALOX15L3MBTL1
SCHEMBL8461563 0.77 MAPT (0.35) MAPTNPSR1SMN1; SMN2HSD17B10LMNA
SCHEMBL7907741 0.76 HIF1A (0.61) MAPTALDH1A1NPSR1ALOX15L3MBTL1
SCHEMBL10473961 0.76 ALDH1A1 (0.60) MAPTALDH1A1NPSR1ALOX15L3MBTL1
SCHEMBL10472913 0.76 ALDH1A1 (0.60) MAPTALDH1A1NPSR1ALOX15L3MBTL1

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
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
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