SCHEMBL11534342

SCHEMBL11534342

COc1cccc2c1Oc1ccccc1N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.53
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
EGFR P00533 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL21753467 0.83 KMT2A (0.43) KMT2AMEN1CA12CA1CA2
SCHEMBL11533606 0.82 ALOX5 (0.48) ALOX5KMT2AMEN1CA1CA2
SCHEMBL31435209 0.79 ALOX5 (0.61) ALOX5KMT2AMEN1CA12CA1
SCHEMBL5127532 0.79 ALOX5 (0.61) ALOX5KMT2AMEN1CA12CA1
SCHEMBL27476665 0.79 ALOX5 (0.48) ALOX5KMT2AMEN1MAPTNPC1
SCHEMBL25228565 0.78 ALOX5 (0.59) ALOX5KMT2AMEN1CA12CA1
SCHEMBL30786817 0.77
SCHEMBL28840933 0.77
SCHEMBL10558860 0.77 ALOX5 (0.59) ALOX5KMT2AMEN1MAPTPOLB
SCHEMBL19745771 0.77 ALOX5 (0.59) ALOX5KMT2AMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132794-A 10-Imidoylacridan compositions MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4115571-A DIURETICS, SMOOTH MUSCLE RELAXANTS, ANTITHROMBOGENIC AGENTS MEAD JOHNSON & COMPANY (US) 1978-09-19 US disclosed
US-4094981-A SMOOTH MUSCLE RELAXANT EMPLOYING 10-IMIDOYLACRIDANS MEAD JOHNSON & COMPANY (US) 1978-06-13 US disclosed
US-4077959-A DIURETICS, SMOOTH MUSCLE RELAXANTS, ANTITHROMBOGENIC MEAD JOHNSON & COMPANY (US) 1978-03-07 US disclosed
US-4046891-A Smooth muscle relaxant process employing 10-imidoylphenoxazines MEAD JOHNSON & COMPANY (US) 1977-09-06 US disclosed
US-3962252-A 10-IMIDOYLACRIDANS MEAD JOHNSON & COMPANY (US) 1976-06-08 US disclosed
US-3946004-A DIURETICS, MUSCLE RELAXANTS, ANTITHROMBOGENIC AGENTS MEAD JOHNSON & COMPANY (US) 1976-03-23 US disclosed