SCHEMBL19675199

SCHEMBL19675199

C=C(/C(C=N)=C(\C)Nc1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TAS2R38 P59533 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MTOR P42345 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TGM2 P21980 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL19676619 0.83 ALDH1A1 (0.37) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL19675275 0.73 ALDH1A1 (0.39) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL18727026 0.72 TAS2R38 (0.48) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL26518694 0.70 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL19675222 0.70 GAA (0.34) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL18453738 0.69 ALDH1A1 (0.45) MAPTALDH1A1KMT2AHSD17B10TAS2R38
SCHEMBL4669792 0.69 ALDH1A1 (0.53) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL14347597 0.69 TAS2R38 (0.64) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL13381399 0.69 TAS2R38 (0.64) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL14347590 0.69 TAS2R38 (0.64) MAPTALDH1A1KMT2AMEN1HSD17B10

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