SCHEMBL9686678

SCHEMBL9686678

CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
LMNA P02545 4/20 0.52
ALOX15 P16050 4/20 0.52
NPSR1 Q6W5P4 4/20 0.52
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
PPP1CA P62136 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 3/20 0.50
PTPN11 Q06124 3/20 0.48
PRMT1 Q99873 1/20 0.47
GAA P10253 1/20 0.45

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
SCHEMBL9685091 0.89 TRPA1 (0.59) TRPA1LMNAALOX15NPSR1MAPK1
SCHEMBL9686157 0.86 NPSR1 (0.55) TRPA1LMNAALOX15NPSR1MAPK1
SCHEMBL9685436 0.85 PRMT1 (0.51) TRPA1LMNAALOX15NPSR1MAPK1
SCHEMBL9298122 0.85 PRMT1 (0.51) TRPA1LMNAALOX15NPSR1MAPK1
SCHEMBL9684629 0.85 PRMT1 (0.51) TRPA1LMNAALOX15NPSR1MAPK1
SCHEMBL9685366 0.84 PTPN11 (0.59) TRPA1LMNAALDH1A1TSHRMAPT
SCHEMBL8812552 0.83 ALOX15 (0.51) TRPA1LMNAALOX15NPSR1MAPK1
SCHEMBL9686751 0.81 TRPA1 (0.61) TRPA1LMNAALOX15NPSR1MAPK1
SCHEMBL11870333 0.79 TRPA1 (0.46) TRPA1LMNAALOX15NPSR1MAPK1
SCHEMBL1618023 0.79 PRMT1 (0.61) LMNAMAPK1ALDH1A1TSHRPRMT1

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
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed