SCHEMBL9877534

SCHEMBL9877534

CCCCc1cc(N=O)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SKP2 Q13309 1/20 0.42
▸ TLR8 Q9NR97 3/20 0.37
▸ TYR P14679 2/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GABRG1 Q8N1C3 1/20 0.36
▸ GABRG3 Q99928 1/20 0.36
▸ GABRQ Q9UN88 1/20 0.36
▸ ATP4A P20648 1/20 0.33

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
SCHEMBL14722967 0.83 ALDH1A1 (0.44) GABRA1GABRB2ALDH1A1MAPTPOLB
SCHEMBL1033550 0.79 TYR (0.47) TYRALDH1A1MAPTEGFRCYP3A4
SCHEMBL881183 0.77 ALDH1A1 (0.34) ALDH1A1MAPTPOLBEGFRGAA
SCHEMBL14086599 0.77 TYR (0.41) SKP2TYRCTRCALDH1A1MAPT
SCHEMBL30227228 0.76 SKP2 (0.48) SKP2TLR8TYRGABRPGABRD
SCHEMBL39005 0.76 SKP2 (0.48) SKP2TLR8TYRGABRPGABRD
SCHEMBL5377476 0.76 SKP2 (0.48) SKP2TLR8TYRGABRPGABRD
SCHEMBL11573659 0.75 TYR (0.50) TYRMAPTCYP3A4PRSS1ACR
SCHEMBL11010019 0.75 ALOX5 (0.40) TYRMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4455067 0.74 SKP2 (0.52) SKP2TLR8TYRALDH1A1MAPT

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
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