SCHEMBL7870129

SCHEMBL7870129

C=CCc1cccc(C(N)=O)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
KDM4E B2RXH2 7/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
PARP1 P09874 2/20 0.40
HSD17B10 Q99714 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 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
SCHEMBL28618628 0.98 GABRA1 (0.43) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL27580229 0.90 KDM4E (0.44) GABRA1GABRB2KDM4EMEN1KMT2A
Bromide SCHEMBL27330252 0.89 KDM4E (0.43) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL83923 0.84 KDM4E (0.50) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL27420156 0.83 GABRA1 (0.44) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL8824319 0.83 GABRA1 (0.44) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL12611132 0.83 GABRA1 (0.58) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL14058696 0.83 PARP1 (0.38) KDM4EMEN1KMT2AMAPTPARP1
Ammonia Solution, Strong SCHEMBL4442413 0.82 KDM4E (0.49) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL8089369 0.80 GABRA1 (0.42) GABRA1GABRB2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997016259-A1 METHOD AND COMPOSITIONS FOR A TEXTILE FINISH IVAX INDUSTRIES, INC. (US) 1997-05-09 WO claimed
US-6306373-B1 FOR TOPICAL APPLICATION TO HUMAN SKIN TO PROTECT THE SKIN AGAINST ULTRAVIOLET RADIATION DAMAGE; SUITABLE FOR USE AS OVERCOATING WITH COSMETICS PHOENIX RESEARCH CORPORATION 2001-10-23 US disclosed
US-6306373-B1 FOR TOPICAL APPLICATION TO HUMAN SKIN TO PROTECT THE SKIN AGAINST ULTRAVIOLET RADIATION DAMAGE; SUITABLE FOR USE AS OVERCOATING WITH COSMETICS PHOENIX RESEARCH CORPORATION 2001-10-23 US disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed