SCHEMBL7974597

SCHEMBL7974597

CCCNN(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
HTT P42858 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
ALOX12 P18054 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL8861782 0.82 ALDH1A1 (0.41) SIGMAR1HTTKMT2AMEN1ALDH1A1
SCHEMBL6767082 0.81 HTT (0.38) HTTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL8649205 0.77 TSHR (0.39) SIGMAR1HTTGAAMAPTALOX12
SCHEMBL22444465 0.77 HTT (0.41) SIGMAR1HTTGAAMAPTALOX12
SCHEMBL9806618 0.76 USP2 (0.40) HTTGAACRHBPCRHR2KMT2A
Hydrochloric Acid SCHEMBL8619257 0.75 TSHR (0.38) SIGMAR1HTTGAAMAPTALOX12
SCHEMBL14797789 0.74 CYP3A4 (0.46) SIGMAR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL4967828 0.74 ALDH1A1 (0.39) SIGMAR1HTTGAAMAPTNPSR1
SCHEMBL7805357 0.74 PLAAT3 (0.44) SIGMAR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13213510 0.72 TP53 (0.46) GAAMAPTALOX12NPSR1KMT2A

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
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO 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