SCHEMBL9684472

SCHEMBL9684472

O=C1c2cnc(N3CCNCC3)nc2CN1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
CYP1A2 P05177 10/20 0.46
CASP1 P29466 10/20 0.46
CASP7 P55210 10/20 0.46
HSD17B10 Q99714 10/20 0.46
TSHR P16473 5/20 0.46
USP2 O75604 9/20 0.42
CYP2C19 P33261 6/20 0.42
HPGD P15428 5/20 0.42
ACVRL1 P37023 5/20 0.40
ACVR1 Q04771 5/20 0.40
BMPR1A P36894 4/20 0.40
CYP3A4 P08684 8/20 0.39
CYP2C9 P11712 6/20 0.39
HIF1A Q16665 4/20 0.39
LMNA P02545 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 1/20 0.38
CDK4 P11802 2/20 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
SCHEMBL9685111 0.79 HTT (0.63) ALDH1A1CASP1HSD17B10TSHRUSP2
SCHEMBL1849473 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL8810726 0.74 ALDH1A1 (0.43) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL1845495 0.74 ALDH1A1 (0.45) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL1844326 0.74 ALDH1A1 (0.43) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL1844713 0.74 ALDH1A1 (0.43) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL9685190 0.73 USP2 (0.66) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL9686640 0.72 ALDH1A1 (0.44) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL9684477 0.72 HSD17B10 (0.49) ALDH1A1CYP1A2CASP1CASP7HSD17B10
Hydrochloric Acid SCHEMBL31633382 0.71 USP2 (0.53) ALDH1A1CYP1A2CASP1CASP7HSD17B10

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