SCHEMBL11605099

SCHEMBL11605099

Cc1c(C=O)n(CCC(N)=O)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.52
▸ FABP4 P15090 3/20 0.45
▸ FABP5 Q01469 3/20 0.45
▸ FABP3 P05413 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TSHR P16473 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL11608101 0.83 KDM4E (0.63) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL11610622 0.82 ALDH1A1 (0.75) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL11610214 0.79 KDM4E (0.65) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL11604973 0.79 KDM4E (0.65) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL3322057 0.78 KDM4E (1.00) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL11609303 0.78 KDM4E (0.63) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL11602533 0.77 MEN1 (0.57) KDM4EALDH1A1FABP4FABP5SMN1; SMN2
SCHEMBL11603283 0.76 KDM4E (0.60) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL11606635 0.75 ALDH1A1 (0.68) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL11603082 0.73 KDM4E (0.65) KDM4EALDH1A1FABP4FABP5FABP3

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
US-4021448-A ANTISECRETORY AND ANTIULCER ACTIVITIES STERLING DRUG INC. (US) 1977-05-03 — — US claimed
US-4069337-A 2-SUBSTITUTED-INDOLE-1-LOWER-ALKANECARBOXAMIDES HAVING ANTI-SECRETORY OR ANTI-ULCER ACTIVITY STERLING DRUG INC. (US) 1978-01-17 — — US disclosed
US-4021448-A ANTISECRETORY AND ANTIULCER ACTIVITIES STERLING DRUG INC. (US) 1977-05-03 — — US disclosed
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