SCHEMBL9877487

SCHEMBL9877487

CC(C)Nc1ccccc1N(N=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 2/20 0.32
ATM Q13315 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL23312224 0.74 AOC1 (0.44) TDP1IDO1ALDH1A1KDM4ELMNA
SCHEMBL26575221 0.74 KDM1A (0.43) TDP1IDO1ALDH1A1KDM4ELMNA
SCHEMBL2962223 0.70 TDP1 (0.57) TDP1IDO1ALDH1A1KDM4ELMNA
SCHEMBL27741403 0.69 TDP1 (0.43) TDP1IDO1ALDH1A1KDM4ELMNA
SCHEMBL18893301 0.68 TDP1 (0.41) TDP1IDO1ALDH1A1KDM4ELMNA
SCHEMBL11355172 0.67 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL23956092 0.65 IDO1 (0.32) TDP1IDO1
SCHEMBL22430546 0.64 TDP1 (0.38) TDP1IDO1ALDH1A1KDM4ELMNA
SCHEMBL9877797 0.64 ALDH1A1 (0.36) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11467473 0.64 MEN1 (0.39) TDP1IDO1ALDH1A1KDM4EMEN1

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-5001171-A Process, modified rubbers and rubber compositions BRIDGESTONE/FIRESTONE, INC. (US) 1991-03-19 US disclosed
EP-0319733-A2 Process, modified rubbers and rubber compositions THE FIRESTONE TIRE & RUBBER COMPANY (US) 1989-06-14 EP disclosed
US-4788229-A BLENDING MIXTURES OF UNCURED ELASTOMERS AND FILLERS CONTAINING ELASTOMER-FILLER LINKAGE PROMOTERS; TIRES; FRICTION RESISTANCE; REDUCED HYSTERESIS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1988-11-29 US disclosed