SCHEMBL9685366

SCHEMBL9685366

CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.59
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
PRMT1 Q99873 1/20 0.55
MAPT P10636 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.53
TRPA1 O75762 1/20 0.50
CHRM4 P08173 2/20 0.49
RECQL P46063 1/20 0.48

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
SCHEMBL9686157 0.89 NPSR1 (0.55) PTPN11RAB9ASMN1; SMN2ALDH1A1PRMT1
SCHEMBL9298122 0.88 PRMT1 (0.51) PTPN11RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9685436 0.88 PRMT1 (0.51) PTPN11RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9684629 0.88 PRMT1 (0.51) PTPN11RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8812552 0.87 ALOX15 (0.51) PTPN11SMN1; SMN2ALDH1A1TSHRPRMT1
SCHEMBL9685091 0.85 TRPA1 (0.59) PTPN11RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9686678 0.84 TRPA1 (0.56) PTPN11RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL31254423 0.83 PTPN11 (0.58) PTPN11NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11870333 0.82 TRPA1 (0.46) PTPN11SMN1; SMN2ALDH1A1TSHRPRMT1
SCHEMBL1618023 0.82 PRMT1 (0.61) ALDH1A1TSHRPRMT1LMNA

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