SCHEMBL9074889

SCHEMBL9074889

Cc1c2c(c3ccccc3c1O)OC(C)(CCSc1ccc(NC(=O)/C=C/c3ccc(NC(=N)N)cc3)cc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 4/20 0.35
MMP1 P03956 5/20 0.34
MMP2 P08253 5/20 0.34
MMP9 P14780 5/20 0.34
EGFR P00533 1/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DEGS1 O15121 1/20 0.32

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
SCHEMBL9074892 1.00 KDM4E (0.38) KDM4EMEN1NPC1NFKB1RAB9A
SCHEMBL9074898 1.00 KDM4E (0.38) KDM4EMEN1NPC1NFKB1RAB9A
Hydrochloric Acid SCHEMBL9074947 0.99 MEN1 (0.37) KDM4EMEN1NPC1NFKB1RAB9A
Hydrochloric Acid SCHEMBL9074941 0.99 MEN1 (0.37) KDM4EMEN1NPC1NFKB1RAB9A
Hydrochloric Acid SCHEMBL9224284 0.99 MEN1 (0.37) KDM4EMEN1NPC1NFKB1RAB9A
Hydrochloric Acid SCHEMBL9075326 0.90 ALOX5 (0.39) KDM4EMEN1NPC1NFKB1RAB9A
Hydrochloric Acid SCHEMBL9075330 0.90 ALOX5 (0.39) KDM4EMEN1NPC1NFKB1RAB9A
Hydrochloric Acid SCHEMBL9285079 0.89 ALOX5 (0.36) MEN1KMT2AALOX5MAPT
SCHEMBL10438711 0.88 SAE1 (0.42) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL10438712 0.88 SAE1 (0.42) KDM4EMEN1NPC1RAB9AKMT2A

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
US-5508450-A INHIBITORY EFFECT ON MAILLARD REACTION AND ANTIOXIDIZING EFFECT; TREATS OR PREVENTS DIABETIC COMPLICATIONS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-16 US claimed
EP-0387771-A2 Benzopyran derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1990-09-19 EP claimed