SCHEMBL7984462

SCHEMBL7984462

Ic1ccccc1CSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KMT2A Q03164 2/20 0.43
IDO1 P14902 2/20 0.42
BRD4 O60885 1/20 0.39
FFAR1 O14842 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP3A4 P08684 1/20 0.37
TERT O14746 1/20 0.37
MAOA P21397 2/20 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
SCHEMBL11325132 0.78 HSPA5 (0.50) ALDH1A1MAPK1TAAR1KMT2AIDO1
SCHEMBL2469296 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1KMT2ABRD4FFAR1
SCHEMBL28181540 0.77 TAAR1 (0.50) ALDH1A1MAPK1CDC7DBF4TAAR1
SCHEMBL10847537 0.74 DAO (0.51) ALDH1A1MAPK1KMT2ACYP1A2CYP2D6
SCHEMBL11270257 0.74 KMT2A (0.47) ALDH1A1MAPK1KMT2ABRD4FFAR1
SCHEMBL23782672 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2ABRD4FFAR1
SCHEMBL777124 0.74 SMN1; SMN2 (0.50) ALDH1A1MAPK1TAAR1KMT2ANPC1
SCHEMBL19963050 0.74 KMT2A (0.47) ALDH1A1MAPK1KMT2ABRD4FFAR1
SCHEMBL3155788 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2ABRD4FFAR1
SCHEMBL28346293 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1CDC7DBF4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 US disclosed
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO disclosed