SCHEMBL18900944

SCHEMBL18900944

CCn1nc(Cc2c[nH]c3ccccc23)c2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ AHR P35869 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ GPR84 Q9NQS5 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CMA1 P23946 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL18900859 0.86 GPR84 (0.52) MAPTKMT2AMEN1ALOX15CYP3A4
SCHEMBL18900946 0.85 GPR84 (0.59) MAPTKMT2AMEN1AHRGPR84
SCHEMBL7960283 0.85 CMA1 (0.65) MAPTKMT2AMEN1AHRALOX15
SCHEMBL7963792 0.83 CYP1A2 (0.68) MAPTKMT2AMEN1ALOX15CYP3A4
SCHEMBL6115415 0.83 CMA1 (0.56) MAPTKMT2AMEN1AHRALOX15
SCHEMBL7963656 0.79 POLB (0.48) MAPTKMT2AMEN1ALOX15CYP3A4
SCHEMBL18900851 0.77 CMA1 (0.72) MAPTALOX15CYP3A4RECQLSMN1; SMN2
SCHEMBL6115861 0.77 AHR (0.45) MAPTKMT2AMEN1AHRCYP3A4
SCHEMBL12877772 0.76 TSHR (0.71) MAPTKMT2AMEN1ALOX15CYP3A4
SCHEMBL7967791 0.76 CMA1 (0.56) MAPTKMT2AALOX15CYP3A4ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
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