SCHEMBL7708792

SCHEMBL7708792

CCC(NC)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 3/20 0.42
THRB P10828 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX12 P18054 2/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
HIF1A Q16665 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 2/20 0.38
SLC18A2 Q05940 1/20 0.38

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
SCHEMBL4457363 0.89 TDP1 (0.61) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL8649208 0.81 TDP1 (0.46) TDP1TSHRALDH1A1HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL8619263 0.79 TDP1 (0.45) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL2495982 0.75 TDP1 (0.54) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL13776661 0.73 ALDH1A1 (0.77) TDP1TSHRALDH1A1HSD17B10CYP3A4
Methane SCHEMBL28523284 0.73 TDP1 (0.52) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL94935 0.73 ALDH1A1 (0.77) TDP1TSHRALDH1A1HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL17710412 0.73 TDP1 (0.52) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL172358 0.73 ALDH1A1 (0.77) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL8907292 0.72 TDP1 (0.46) TDP1TSHRALDH1A1HSD17B10CYP3A4

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
US-5710012-A DETECTION OF CHOLESTEROL BY RELEASE OF HYDROGEN PEROXIDE ACTIMED LABORATORIES, INC. (US) 1998-01-20 US claimed
US-6348595-B1 PERYLENE-3,4,9,10-TETRACARBOXIMIDE IS HYDROXYMETHYLATED BY REACTION WITH FORMALDEHYDE TO FORM BIS(HYDROXYMETHYL) PERYLENE-3,4,9,10-TETRACARBOXIMIDE; ONE POT PROCESS CIBA SPECIALTY CHEMICALS CORPORATION 2002-02-19 US disclosed
US-5710012-A DETECTION OF CHOLESTEROL BY RELEASE OF HYDROGEN PEROXIDE ACTIMED LABORATORIES, INC. (US) 1998-01-20 US disclosed
US-5518891-A SUBSTITUTED ANILINES, HYDRAZONES OR 4-AMINOANTIPYRINES ACTIMED LABORATORIES, INC. (US) 1996-05-21 US disclosed